4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide

C22H26F2N8O2 — CID 165112339

IUPAC4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cnn(CCCN3CCOCC3)c2)nc1NCc1c(F)cccc1F
InChIInChI=1S/C22H26F2N8O2/c23-18-3-1-4-19(24)16(18)12-26-21-17(20(25)33)13-27-22(30-21)29-15-11-28-32(14-15)6-2-5-31-7-9-34-10-8-31/h1,3-4,11,13-14H,2,5-10,12H2,(H2,25,33)(H2,26,27,29,30)
InChIKeyHZWSEZYZHCGXGP-UHFFFAOYSA-N
MW472.50 g/mol
LogP2.13
Rot. Bonds10

About 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide

4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 165112339) has the molecular formula C22H26F2N8O2 and a molecular weight of 472.50 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID165112339
Molecular FormulaC22H26F2N8O2
Molecular Weight472.50 g/mol
Exact Mass472.21
IUPAC Name4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cnn(CCCN3CCOCC3)c2)nc1NCc1c(F)cccc1F
InChIInChI=1S/C22H26F2N8O2/c23-18-3-1-4-19(24)16(18)12-26-21-17(20(25)33)13-27-22(30-21)29-15-11-28-32(14-15)6-2-5-31-7-9-34-10-8-31/h1,3-4,11,13-14H,2,5-10,12H2,(H2,25,33)(H2,26,27,29,30)
InChIKeyHZWSEZYZHCGXGP-UHFFFAOYSA-N
XLogP2.13
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

BI-1935
CID 57861407
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
2-((4-Morpholin-4-ylphenyl)amino)-4-((2,3,6-trifluorobenzyl)amino)pyrimidine-5-carboxamide
CID 10321901
2-(4-Morpholin-4-ylanilino)-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 44561163
N-[3-[[[5-chloro-2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475625
N-[3-[[[5-chloro-2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475635
N-[3-[[[5-chloro-2-[[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475637
N-[3-[[[5-chloro-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475652
N-[3-[[[5-chloro-2-[[1-(1-methoxy-2-methylpropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475653
N-[3-[[[5-chloro-2-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475655
N-[3-[[[5-chloro-2-[[1-[2-(difluoromethoxy)ethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475657
5-[[(3R)-azepan-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166633838

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide (CID 165112339) is 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2cnn(CCCN3CCOCC3)c2)nc1NCc1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is HZWSEZYZHCGXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N8O2/c23-18-3-1-4-19(24)16(18)12-26-21-17(20(25)33)13-27-22(30-21)29-15-11-28-32(14-15)6-2-5-31-7-9-34-10-8-31/h1,3-4,11,13-14H,2,5-10,12H2,(H2,25,33)(H2,26,27,29,30).
What are the key properties of 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 2.13, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methylamino]-2-[[1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).