5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine

C20H25N7 — CID 29153886

IUPAC5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine
SMILESCc1cnc(NC[C@@H](c2cccnc2)N2CCCC2)nc1-c1ccnn1C
InChIInChI=1S/C20H25N7/c1-15-12-22-20(25-19(15)17-7-9-24-26(17)2)23-14-18(27-10-3-4-11-27)16-6-5-8-21-13-16/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,22,23,25)/t18-/m0/s1
InChIKeyXTULGIWGMLOYEG-SFHVURJKSA-N
MW363.47 g/mol
LogP2.83
Rot. Bonds6

About 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine

5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine (PubChem CID 29153886) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine
PubChem CID29153886
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine
SMILESCc1cnc(NC[C@@H](c2cccnc2)N2CCCC2)nc1-c1ccnn1C
InChIInChI=1S/C20H25N7/c1-15-12-22-20(25-19(15)17-7-9-24-26(17)2)23-14-18(27-10-3-4-11-27)16-6-5-8-21-13-16/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,22,23,25)/t18-/m0/s1
InChIKeyXTULGIWGMLOYEG-SFHVURJKSA-N
XLogP2.83
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97208706
4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 56875402
5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyrimidin-2-amine
CID 31191896
5,7-dimethyl-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190501
3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72925899
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
1-[2-[[2-(azepan-1-yl)-2-phenylethyl]amino]-4-methylpyrimidin-5-yl]ethanone
CID 135114479
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
CID 131944543

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine (CID 29153886) is 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine is Cc1cnc(NC[C@@H](c2cccnc2)N2CCCC2)nc1-c1ccnn1C.
What is the InChIKey of 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine?
The InChIKey is XTULGIWGMLOYEG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N7/c1-15-12-22-20(25-19(15)17-7-9-24-26(17)2)23-14-18(27-10-3-4-11-27)16-6-5-8-21-13-16/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,22,23,25)/t18-/m0/s1.
What are the key properties of 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine?
5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine is sourced from PubChem (CID 29153886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).