5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine

C19H23N7 — CID 96517293

IUPAC5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1nc(-c2cccnc2)nc(N[C@@H]2CCN(c3cnn(C)c3)C2)c1C
InChIInChI=1S/C19H23N7/c1-13-14(2)22-19(15-5-4-7-20-9-15)24-18(13)23-16-6-8-26(11-16)17-10-21-25(3)12-17/h4-5,7,9-10,12,16H,6,8,11H2,1-3H3,(H,22,23,24)/t16-/m1/s1
InChIKeyYBSKIYXPOTVCRD-MRXNPFEDSA-N
MW349.44 g/mol
LogP2.58
Rot. Bonds4

About 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine

5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 96517293) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID96517293
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1nc(-c2cccnc2)nc(N[C@@H]2CCN(c3cnn(C)c3)C2)c1C
InChIInChI=1S/C19H23N7/c1-13-14(2)22-19(15-5-4-7-20-9-15)24-18(13)23-16-6-8-26(11-16)17-10-21-25(3)12-17/h4-5,7,9-10,12,16H,6,8,11H2,1-3H3,(H,22,23,24)/t16-/m1/s1
InChIKeyYBSKIYXPOTVCRD-MRXNPFEDSA-N
XLogP2.58
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
N-(1,1-dioxothian-4-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 167967042
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133357134
4-[3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
CID 133321580
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 166432019
N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine
CID 154866088
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
CID 133337542
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
CID 133374542
5-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406956

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine (CID 96517293) is 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine is Cc1nc(-c2cccnc2)nc(N[C@@H]2CCN(c3cnn(C)c3)C2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is YBSKIYXPOTVCRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N7/c1-13-14(2)22-19(15-5-4-7-20-9-15)24-18(13)23-16-6-8-26(11-16)17-10-21-25(3)12-17/h4-5,7,9-10,12,16H,6,8,11H2,1-3H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine?
5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 96517293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).