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

C13H20ClN3O — CID 63728796

IUPAC6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1N(C)CC1CCCO1
InChIInChI=1S/C13H20ClN3O/c1-9(2)11-12(14)15-8-16-13(11)17(3)7-10-5-4-6-18-10/h8-10H,4-7H2,1-3H3
InChIKeyUAGDTBMZLDBXPT-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.87
Rot. Bonds4

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

6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63728796) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID63728796
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1N(C)CC1CCCO1
InChIInChI=1S/C13H20ClN3O/c1-9(2)11-12(14)15-8-16-13(11)17(3)7-10-5-4-6-18-10/h8-10H,4-7H2,1-3H3
InChIKeyUAGDTBMZLDBXPT-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796274
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80780441
6-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62102507
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729773
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
6-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 112663088
6-fluoro-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 115416622
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (CID 63728796) is 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1N(C)CC1CCCO1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is UAGDTBMZLDBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(2)11-12(14)15-8-16-13(11)17(3)7-10-5-4-6-18-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63728796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).