N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine

C16H18ClN5 — CID 171994161

IUPACN-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
SMILESClc1ccc(N2CCC(N(c3ccncn3)C3CC3)C2)nc1
InChIInChI=1S/C16H18ClN5/c17-12-1-4-15(19-9-12)21-8-6-14(10-21)22(13-2-3-13)16-5-7-18-11-20-16/h1,4-5,7,9,11,13-14H,2-3,6,8,10H2
InChIKeySVHVPSZPLQPLGS-UHFFFAOYSA-N
MW315.81 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine

N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine (PubChem CID 171994161) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
PubChem CID171994161
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC NameN-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
SMILESClc1ccc(N2CCC(N(c3ccncn3)C3CC3)C2)nc1
InChIInChI=1S/C16H18ClN5/c17-12-1-4-15(19-9-12)21-8-6-14(10-21)22(13-2-3-13)16-5-7-18-11-20-16/h1,4-5,7,9,11,13-14H,2-3,6,8,10H2
InChIKeySVHVPSZPLQPLGS-UHFFFAOYSA-N
XLogP2.77
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[cyclopropyl(pyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 171993359
N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
CID 172881442
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
N-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 171689763
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 171996337
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346294
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine (CID 171994161) is N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine is Clc1ccc(N2CCC(N(c3ccncn3)C3CC3)C2)nc1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
The InChIKey is SVHVPSZPLQPLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c17-12-1-4-15(19-9-12)21-8-6-14(10-21)22(13-2-3-13)16-5-7-18-11-20-16/h1,4-5,7,9,11,13-14H,2-3,6,8,10H2.
What are the key properties of N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine?
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine has a molecular weight of 315.81 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 171994161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).