2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine

C19H24N6 — CID 172892192

IUPAC2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3cc4c(nn3)CCCC4)C2)nc(C2CC2)n1
InChIInChI=1S/C19H24N6/c1-2-4-16-14(3-1)11-18(24-23-16)25-10-8-15(12-25)21-17-7-9-20-19(22-17)13-5-6-13/h7,9,11,13,15H,1-6,8,10,12H2,(H,20,21,22)
InChIKeyBPECSOAQVKSXGW-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.71
Rot. Bonds4

About 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172892192) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172892192
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3cc4c(nn3)CCCC4)C2)nc(C2CC2)n1
InChIInChI=1S/C19H24N6/c1-2-4-16-14(3-1)11-18(24-23-16)25-10-8-15(12-25)21-17-7-9-20-19(22-17)13-5-6-13/h7,9,11,13,15H,1-6,8,10,12H2,(H,20,21,22)
InChIKeyBPECSOAQVKSXGW-UHFFFAOYSA-N
XLogP2.71
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008
2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172903181
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine
CID 175649469
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904041
4-[3-[(2-cyclopropylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 172902660
N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887477
2-cyclopropyl-N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902294
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 171995695
3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline
CID 175648038
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 172892192) is 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine is c1cc(NC2CCN(c3cc4c(nn3)CCCC4)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is BPECSOAQVKSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-4-16-14(3-1)11-18(24-23-16)25-10-8-15(12-25)21-17-7-9-20-19(22-17)13-5-6-13/h7,9,11,13,15H,1-6,8,10,12H2,(H,20,21,22).
What are the key properties of 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172892192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).