6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine

C15H21ClN4 — CID 80972393

IUPAC6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCN(C2CC2)C1
InChIInChI=1S/C15H21ClN4/c1-9-13(16)18-15(10-2-3-10)19-14(9)17-11-6-7-20(8-11)12-4-5-12/h10-12H,2-8H2,1H3,(H,17,18,19)
InChIKeyOAUNRXRRIUUSOA-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.96
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine (PubChem CID 80972393) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine
PubChem CID80972393
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCN(C2CC2)C1
InChIInChI=1S/C15H21ClN4/c1-9-13(16)18-15(10-2-3-10)19-14(9)17-11-6-7-20(8-11)12-4-5-12/h10-12H,2-8H2,1H3,(H,17,18,19)
InChIKeyOAUNRXRRIUUSOA-UHFFFAOYSA-N
XLogP2.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106196088
6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 114549347
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 114109081
4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192202
6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10214558
6-chloro-2-cyclopropyl-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020281
5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 80813553
6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 80968202
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine (CID 80972393) is 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC1CCN(C2CC2)C1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine?
The InChIKey is OAUNRXRRIUUSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-9-13(16)18-15(10-2-3-10)19-14(9)17-11-6-7-20(8-11)12-4-5-12/h10-12H,2-8H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80972393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).