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

C10H14ClN3O — CID 63729583

IUPAC6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1CCCO1
InChIInChI=1S/C10H14ClN3O/c1-7-9(11)13-6-14-10(7)12-5-8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyMXAQPNYMOPHULZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.03
Rot. Bonds3

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

6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 63729583) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID63729583
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1CCCO1
InChIInChI=1S/C10H14ClN3O/c1-7-9(11)13-6-14-10(7)12-5-8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyMXAQPNYMOPHULZ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde
CID 66366535
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350691

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 63729583) is 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)ncnc1NCC1CCCO1.
What is the InChIKey of 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is MXAQPNYMOPHULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-9(11)13-6-14-10(7)12-5-8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 2.03, 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-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63729583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).