N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine

C16H18N8 — CID 66765817

IUPACN-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine
SMILESCNc1nc(-c2ccncn2)c(-c2cn[nH]c2)nc1C1CCNC1
InChIInChI=1S/C16H18N8/c1-17-16-14(10-2-4-18-6-10)23-13(11-7-21-22-8-11)15(24-16)12-3-5-19-9-20-12/h3,5,7-10,18H,2,4,6H2,1H3,(H,17,24)(H,21,22)
InChIKeyYBTFAIWCOKGUIR-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.44
Rot. Bonds4

About N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine

N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine (PubChem CID 66765817) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine
PubChem CID66765817
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine
SMILESCNc1nc(-c2ccncn2)c(-c2cn[nH]c2)nc1C1CCNC1
InChIInChI=1S/C16H18N8/c1-17-16-14(10-2-4-18-6-10)23-13(11-7-21-22-8-11)15(24-16)12-3-5-19-9-20-12/h3,5,7-10,18H,2,4,6H2,1H3,(H,17,24)(H,21,22)
InChIKeyYBTFAIWCOKGUIR-UHFFFAOYSA-N
XLogP1.44
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 153314143
4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171102536
4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
CID 22973174
5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528821
ethane;3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143441754
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475
N-[4-(1H-pyrazol-4-yl)phenyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95708930
N,5,6-trimethyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984848
N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine
CID 89308329
N-methyl-6-piperidin-4-ylpyrazin-2-amine
CID 66509252

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine?
The IUPAC name of N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine (CID 66765817) is N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine.
What is the SMILES notation for N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine?
The canonical SMILES for N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine is CNc1nc(-c2ccncn2)c(-c2cn[nH]c2)nc1C1CCNC1.
What is the InChIKey of N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine?
The InChIKey is YBTFAIWCOKGUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-17-16-14(10-2-4-18-6-10)23-13(11-7-21-22-8-11)15(24-16)12-3-5-19-9-20-12/h3,5,7-10,18H,2,4,6H2,1H3,(H,17,24)(H,21,22).
What are the key properties of N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine?
N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine has a molecular weight of 322.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine is sourced from PubChem (CID 66765817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).