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

C22H30N6 — CID 126890776

IUPACN-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3cc4c(nn3)CCC(C)C4)CC2)ncn1
InChIInChI=1S/C22H30N6/c1-15-3-6-20-17(11-15)13-22(26-25-20)27-9-7-19(8-10-27)28(18-4-5-18)21-12-16(2)23-14-24-21/h12-15,18-19H,3-11H2,1-2H3
InChIKeyJNBTVUMSTGZKED-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.34
Rot. Bonds4

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

N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890776) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890776
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3cc4c(nn3)CCC(C)C4)CC2)ncn1
InChIInChI=1S/C22H30N6/c1-15-3-6-20-17(11-15)13-22(26-25-20)27-9-7-19(8-10-27)28(18-4-5-18)21-12-16(2)23-14-24-21/h12-15,18-19H,3-11H2,1-2H3
InChIKeyJNBTVUMSTGZKED-UHFFFAOYSA-N
XLogP3.34
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine
CID 126891673
4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine
CID 126891672
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine
CID 99978361
6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888327
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887477
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 126890479
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942453
N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890717

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126890776) is N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(c3cc4c(nn3)CCC(C)C4)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is JNBTVUMSTGZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-15-3-6-20-17(11-15)13-22(26-25-20)27-9-7-19(8-10-27)28(18-4-5-18)21-12-16(2)23-14-24-21/h12-15,18-19H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 378.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).