6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C16H25ClN4 — CID 80971665

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(C)CN1CCCC1
InChIInChI=1S/C16H25ClN4/c1-11(10-21-7-3-4-8-21)9-18-15-12(2)14(17)19-16(20-15)13-5-6-13/h11,13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyOKEGLCDCJAZJKZ-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.46
Rot. Bonds6

About 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 80971665) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID80971665
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(C)CN1CCCC1
InChIInChI=1S/C16H25ClN4/c1-11(10-21-7-3-4-8-21)9-18-15-12(2)14(17)19-16(20-15)13-5-6-13/h11,13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyOKEGLCDCJAZJKZ-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971664
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914851
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282
3-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65271588
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80971748
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 80968202
3-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 91651037
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 80971665) is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCC(C)CN1CCCC1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is OKEGLCDCJAZJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-11(10-21-7-3-4-8-21)9-18-15-12(2)14(17)19-16(20-15)13-5-6-13/h11,13H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 308.86 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80971665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).