N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine

C18H24N6 — CID 126887477

IUPACN-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCC1CCc2nnc(N3CCC(Nc4ccncn4)CC3)cc2C1
InChIInChI=1S/C18H24N6/c1-13-2-3-16-14(10-13)11-18(23-22-16)24-8-5-15(6-9-24)21-17-4-7-19-12-20-17/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3,(H,19,20,21)
InChIKeyYVKXRRMQGSORDT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.47
Rot. Bonds3

About N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887477) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887477
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCC1CCc2nnc(N3CCC(Nc4ccncn4)CC3)cc2C1
InChIInChI=1S/C18H24N6/c1-13-2-3-16-14(10-13)11-18(23-22-16)24-8-5-15(6-9-24)21-17-4-7-19-12-20-17/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3,(H,19,20,21)
InChIKeyYVKXRRMQGSORDT-UHFFFAOYSA-N
XLogP2.47
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888327
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine
CID 99978361
N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890776
3-fluoro-5-[4-(pyrimidin-4-ylamino)piperidin-1-yl]benzonitrile
CID 171326868
N-[1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889915
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126887406
2-cyclopropyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892192
N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
CID 57208606
N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889914
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887477) is N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine is CC1CCc2nnc(N3CCC(Nc4ccncn4)CC3)cc2C1.
What is the InChIKey of N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is YVKXRRMQGSORDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-13-2-3-16-14(10-13)11-18(23-22-16)24-8-5-15(6-9-24)21-17-4-7-19-12-20-17/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3,(H,19,20,21).
What are the key properties of N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).