N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine

C16H20N6O — CID 171705072

IUPACN-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3cnccn3)C2)ncn1
InChIInChI=1S/C16H20N6O/c1-23-16-8-14(19-11-20-16)22(12-2-3-12)13-4-7-21(10-13)15-9-17-5-6-18-15/h5-6,8-9,11-13H,2-4,7,10H2,1H3
InChIKeyQNKJZAVTYOFGBT-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.52
Rot. Bonds5

About N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine (PubChem CID 171705072) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
PubChem CID171705072
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3cnccn3)C2)ncn1
InChIInChI=1S/C16H20N6O/c1-23-16-8-14(19-11-20-16)22(12-2-3-12)13-4-7-21(10-13)15-9-17-5-6-18-15/h5-6,8-9,11-13H,2-4,7,10H2,1H3
InChIKeyQNKJZAVTYOFGBT-UHFFFAOYSA-N
XLogP1.52
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171999040
N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171995144
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
2-[3-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 171997713
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326572
N-cyclopropyl-6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891260
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126891176

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine (CID 171705072) is N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3cnccn3)C2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine?
The InChIKey is QNKJZAVTYOFGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-23-16-8-14(19-11-20-16)22(12-2-3-12)13-4-7-21(10-13)15-9-17-5-6-18-15/h5-6,8-9,11-13H,2-4,7,10H2,1H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine has a molecular weight of 312.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 171705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).