N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine

C18H22ClN5 — CID 126890479

IUPACN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3ccncc3Cl)CC2)ncn1
InChIInChI=1S/C18H22ClN5/c1-13-10-18(22-12-21-13)24(14-2-3-14)15-5-8-23(9-6-15)17-4-7-20-11-16(17)19/h4,7,10-12,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyJLMYMGZPGAQVKD-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine

N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine (PubChem CID 126890479) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine
PubChem CID126890479
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC NameN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3ccncc3Cl)CC2)ncn1
InChIInChI=1S/C18H22ClN5/c1-13-10-18(22-12-21-13)24(14-2-3-14)15-5-8-23(9-6-15)17-4-7-20-11-16(17)19/h4,7,10-12,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyJLMYMGZPGAQVKD-UHFFFAOYSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126890774
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
3-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 106838460
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890776

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine (CID 126890479) is N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(c3ccncc3Cl)CC2)ncn1.
What is the InChIKey of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine?
The InChIKey is JLMYMGZPGAQVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5/c1-13-10-18(22-12-21-13)24(14-2-3-14)15-5-8-23(9-6-15)17-4-7-20-11-16(17)19/h4,7,10-12,14-15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine?
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine has a molecular weight of 343.86 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126890479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).