6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

C13H18ClN3O — CID 80970322

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC1CCCO1
InChIInChI=1S/C13H18ClN3O/c1-8-11(14)16-13(9-4-5-9)17-12(8)15-7-10-3-2-6-18-10/h9-10H,2-7H2,1H3,(H,15,16,17)
InChIKeyKKBDXTWMZYPTBS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.91
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80970322) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID80970322
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC1CCCO1
InChIInChI=1S/C13H18ClN3O/c1-8-11(14)16-13(9-4-5-9)17-12(8)15-7-10-3-2-6-18-10/h9-10H,2-7H2,1H3,(H,15,16,17)
InChIKeyKKBDXTWMZYPTBS-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
CID 82456275
2-cyclopropyl-6-(2-methoxyethoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456345
3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 81037138
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80972164
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
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
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 80970322) is 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCC1CCCO1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is KKBDXTWMZYPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8-11(14)16-13(9-4-5-9)17-12(8)15-7-10-3-2-6-18-10/h9-10H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 267.76 g/mol, XLogP of 2.91, 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-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80970322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).