N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide

C21H29N5O — CID 47052300

IUPACN-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C21H29N5O/c1-16(2)25(3)20(27)19-8-6-17(7-9-19)12-22-13-18-14-23-21(24-15-18)26-10-4-5-11-26/h6-9,14-16,22H,4-5,10-13H2,1-3H3
InChIKeyKYVJIJJWPNUGQY-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.85
Rot. Bonds7

About N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide

N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide (PubChem CID 47052300) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide
PubChem CID47052300
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C21H29N5O/c1-16(2)25(3)20(27)19-8-6-17(7-9-19)12-22-13-18-14-23-21(24-15-18)26-10-4-5-11-26/h6-9,14-16,22H,4-5,10-13H2,1-3H3
InChIKeyKYVJIJJWPNUGQY-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide with MolForge

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Related Compounds

1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 47626361
(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612
3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
CID 102536485
4-[1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]indazol-5-yl]-N-methyl-N-propan-2-ylbenzamide
CID 57405096
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
CID 136905628
(2S)-N-methyl-2-[methyl-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95208927
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 47052615
N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
CID 47613149
N-(pyridin-4-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249408
2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol
CID 102536724
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide?
The IUPAC name of N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide (CID 47052300) is N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide is CC(C)N(C)C(=O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1.
What is the InChIKey of N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide?
The InChIKey is KYVJIJJWPNUGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16(2)25(3)20(27)19-8-6-17(7-9-19)12-22-13-18-14-23-21(24-15-18)26-10-4-5-11-26/h6-9,14-16,22H,4-5,10-13H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide?
N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide has a molecular weight of 367.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 47052300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).