6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

C10H14ClN3O — CID 63728364

IUPAC6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1CCOC1
InChIInChI=1S/C10H14ClN3O/c1-7-9(11)13-6-14-10(7)12-4-8-2-3-15-5-8/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyQFZVOPYUIMVELJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.89
Rot. Bonds3

About 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 63728364) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID63728364
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1CCOC1
InChIInChI=1S/C10H14ClN3O/c1-7-9(11)13-6-14-10(7)12-4-8-2-3-15-5-8/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyQFZVOPYUIMVELJ-UHFFFAOYSA-N
XLogP1.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 55229705
5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006827
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350691
3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 104506777
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80758184
8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
CID 94415325
5-chloro-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974507

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 63728364) is 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)ncnc1NCC1CCOC1.
What is the InChIKey of 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is QFZVOPYUIMVELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-9(11)13-6-14-10(7)12-4-8-2-3-15-5-8/h6,8H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).