6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine

C18H22N8O — CID 141200725

IUPAC6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCNc1ccnn1-c1cc(Nc2ccc(CN3CCOCC3)cn2)ncn1
InChIInChI=1S/C18H22N8O/c1-19-17-4-5-23-26(17)18-10-16(21-13-22-18)24-15-3-2-14(11-20-15)12-25-6-8-27-9-7-25/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,20,21,22,24)
InChIKeySTXPYXRJIRHLRX-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.67
Rot. Bonds6

About 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine

6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 141200725) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID141200725
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCNc1ccnn1-c1cc(Nc2ccc(CN3CCOCC3)cn2)ncn1
InChIInChI=1S/C18H22N8O/c1-19-17-4-5-23-26(17)18-10-16(21-13-22-18)24-15-3-2-14(11-20-15)12-25-6-8-27-9-7-25/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,20,21,22,24)
InChIKeySTXPYXRJIRHLRX-UHFFFAOYSA-N
XLogP1.67
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

tert-butyl N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]carbamate
CID 59173259
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
7-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
CID 73426390
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
CID 58285180
1-N-methyl-6-N-(1-methylpyrazol-3-yl)-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridine-1,6-diamine
CID 178122466
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 75456130
4-N-(3-methylsulfanyl-2-pyridinyl)-6-N-[5-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 172624464
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217

Frequently Asked Questions

What is the IUPAC name of 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine (CID 141200725) is 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine is CNc1ccnn1-c1cc(Nc2ccc(CN3CCOCC3)cn2)ncn1.
What is the InChIKey of 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is STXPYXRJIRHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-19-17-4-5-23-26(17)18-10-16(21-13-22-18)24-15-3-2-14(11-20-15)12-25-6-8-27-9-7-25/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,20,21,22,24).
What are the key properties of 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine?
6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(methylamino)pyrazol-1-yl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 141200725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).