6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine

C12H20N4O — CID 114241669

IUPAC6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCOCC2C)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-7-17-5-4-10(8)16-12-6-11(13-3)14-9(2)15-12/h6,8,10H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyLFVFYZQHGAQTJO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.66
Rot. Bonds3

About 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine

6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine (PubChem CID 114241669) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine
PubChem CID114241669
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCOCC2C)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-7-17-5-4-10(8)16-12-6-11(13-3)14-9(2)15-12/h6,8,10H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyLFVFYZQHGAQTJO-UHFFFAOYSA-N
XLogP1.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-N-(3-methyloxan-4-yl)pyridine-2,5-diamine
CID 114240788
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840343
5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 114241173
6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine
CID 114241071
2-cyclopropyl-6-N-methyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959584
2-methyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82736361
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80911652
2-ethyl-6-N-methyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80933606

Frequently Asked Questions

What is the IUPAC name of 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine (CID 114241669) is 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine is CNc1cc(NC2CCOCC2C)nc(C)n1.
What is the InChIKey of 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine?
The InChIKey is LFVFYZQHGAQTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-7-17-5-4-10(8)16-12-6-11(13-3)14-9(2)15-12/h6,8,10H,4-5,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine?
6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114241669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).