2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide

C18H22N8O2 — CID 154628208

IUPAC2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide
SMILESCC(C)Oc1ncccc1CNc1nc(Nc2cnn(C)c2)ncc1C(N)=O
InChIInChI=1S/C18H22N8O2/c1-11(2)28-17-12(5-4-6-20-17)7-21-16-14(15(19)27)9-22-18(25-16)24-13-8-23-26(3)10-13/h4-6,8-11H,7H2,1-3H3,(H2,19,27)(H2,21,22,24,25)
InChIKeyRICGUBYETQUARJ-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.85
Rot. Bonds8

About 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide

2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 154628208) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide
PubChem CID154628208
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide
SMILESCC(C)Oc1ncccc1CNc1nc(Nc2cnn(C)c2)ncc1C(N)=O
InChIInChI=1S/C18H22N8O2/c1-11(2)28-17-12(5-4-6-20-17)7-21-16-14(15(19)27)9-22-18(25-16)24-13-8-23-26(3)10-13/h4-6,8-11H,7H2,1-3H3,(H2,19,27)(H2,21,22,24,25)
InChIKeyRICGUBYETQUARJ-UHFFFAOYSA-N
XLogP1.85
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-[(4-hydroxyphenyl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 154628243
4-[(2,3-dichlorophenyl)methylamino]-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 165112275
4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 175733738
4-(2-methoxy-3-pyridin-3-ylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 171818573
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide
CID 165112332
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
2-[(1-ethylpyrazol-4-yl)amino]-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 165112333
2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 73297207
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 165112300
N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide (CID 154628208) is 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide is CC(C)Oc1ncccc1CNc1nc(Nc2cnn(C)c2)ncc1C(N)=O.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is RICGUBYETQUARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-11(2)28-17-12(5-4-6-20-17)7-21-16-14(15(19)27)9-22-18(25-16)24-13-8-23-26(3)10-13/h4-6,8-11H,7H2,1-3H3,(H2,19,27)(H2,21,22,24,25).
What are the key properties of 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide?
2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154628208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).