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N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

C18H22ClN5O — CID 171326942

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ncccc3Cl)CC2)ncn1
InChIInChI=1S/C18H22ClN5O/c1-25-17-11-16(21-12-22-17)24(13-4-5-13)14-6-9-23(10-7-14)18-15(19)3-2-8-20-18/h2-3,8,11-14H,4-7,9-10H2,1H3
InChIKeyAMHDSAKNNGDMML-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.17
Rot. Bonds5

About N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (PubChem CID 171326942) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
PubChem CID171326942
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC NameN-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ncccc3Cl)CC2)ncn1
InChIInChI=1S/C18H22ClN5O/c1-25-17-11-16(21-12-22-17)24(13-4-5-13)14-6-9-23(10-7-14)18-15(19)3-2-8-20-18/h2-3,8,11-14H,4-7,9-10H2,1H3
InChIKeyAMHDSAKNNGDMML-UHFFFAOYSA-N
XLogP3.17
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (CID 171326942) is N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3ncccc3Cl)CC2)ncn1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The InChIKey is AMHDSAKNNGDMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-25-17-11-16(21-12-22-17)24(13-4-5-13)14-6-9-23(10-7-14)18-15(19)3-2-8-20-18/h2-3,8,11-14H,4-7,9-10H2,1H3.
What are the key properties of N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine has a molecular weight of 359.86 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 171326942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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