(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol

C18H22N6O3 — CID 164629409

IUPAC(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1ccc(Nc2cc(N[C@@H](CO)c3cnn(C)c3)ncn2)c(OC)c1
InChIInChI=1S/C18H22N6O3/c1-24-9-12(8-21-24)15(10-25)23-18-7-17(19-11-20-18)22-14-5-4-13(26-2)6-16(14)27-3/h4-9,11,15,25H,10H2,1-3H3,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyYIJWSQJTOKRJQS-HNNXBMFYSA-N
MW370.41 g/mol
LogP2.12
Rot. Bonds8

About (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol

(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 164629409) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID164629409
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1ccc(Nc2cc(N[C@@H](CO)c3cnn(C)c3)ncn2)c(OC)c1
InChIInChI=1S/C18H22N6O3/c1-24-9-12(8-21-24)15(10-25)23-18-7-17(19-11-20-18)22-14-5-4-13(26-2)6-16(14)27-3/h4-9,11,15,25H,10H2,1-3H3,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyYIJWSQJTOKRJQS-HNNXBMFYSA-N
XLogP2.12
TPSA106.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol with MolForge

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864033
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 133454545
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
4-[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858317
N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338769
4-[6-(2,4-dimethoxyanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345811
4-[[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzamide
CID 167755546
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol (CID 164629409) is (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol is COc1ccc(Nc2cc(N[C@@H](CO)c3cnn(C)c3)ncn2)c(OC)c1.
What is the InChIKey of (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is YIJWSQJTOKRJQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-24-9-12(8-21-24)15(10-25)23-18-7-17(19-11-20-18)22-14-5-4-13(26-2)6-16(14)27-3/h4-9,11,15,25H,10H2,1-3H3,(H2,19,20,22,23)/t15-/m0/s1.
What are the key properties of (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol?
(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 370.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 164629409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).