6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine

C13H22N4O — CID 80813809

IUPAC6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC2CCCOC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-12(14-3)16-10(2)17-13(9)15-7-11-5-4-6-18-8-11/h11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyDRROWROTEBXXOQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.97
Rot. Bonds4

About 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80813809) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80813809
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC2CCCOC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-12(14-3)16-10(2)17-13(9)15-7-11-5-4-6-18-8-11/h11H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyDRROWROTEBXXOQ-UHFFFAOYSA-N
XLogP1.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131306
6-chloro-2-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,5-diamine
CID 59374572
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80983011
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80982978
2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
CID 134698138
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
N,2,5-trimethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80872805
5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80985429
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (CID 80813809) is 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is CNc1nc(C)nc(NCC2CCCOC2)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is DRROWROTEBXXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(14-3)16-10(2)17-13(9)15-7-11-5-4-6-18-8-11/h11H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80813809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).