2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

C12H20N4O — CID 80813128

IUPAC2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC2CCCOC2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-15-12(13-2)16-11(9)14-7-10-4-3-5-17-8-10/h6,10H,3-5,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyFTLGWAIGSYPHKP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.67
Rot. Bonds4

About 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80813128) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80813128
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC2CCCOC2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-15-12(13-2)16-11(9)14-7-10-4-3-5-17-8-10/h6,10H,3-5,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyFTLGWAIGSYPHKP-UHFFFAOYSA-N
XLogP1.67
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131301
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986
2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80790393
6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80813809
1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone
CID 135089444
2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80852345
2-N,5-dimethyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80816729
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80830256
2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
CID 134698138
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (CID 80813128) is 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(C)c(NCC2CCCOC2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is FTLGWAIGSYPHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-6-15-12(13-2)16-11(9)14-7-10-4-3-5-17-8-10/h6,10H,3-5,7-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80813128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).