2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine

C12H20N4O — CID 80830256

IUPAC2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCCOC2)n1
InChIInChI=1S/C12H20N4O/c1-3-13-12-14-7-9(2)11(16-12)15-10-5-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyIWGMFLTZHMWJBS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.81
Rot. Bonds4

About 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80830256) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
PubChem CID80830256
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCCOC2)n1
InChIInChI=1S/C12H20N4O/c1-3-13-12-14-7-9(2)11(16-12)15-10-5-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyIWGMFLTZHMWJBS-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
5-methyl-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80853655
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166
4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 114542208
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
CID 80817562
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 136585045
2-N-(7-chloro-1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-methyl-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 170626305
4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
CID 80871066
4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 106014954

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine (CID 80830256) is 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(NC2CCCOC2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is IWGMFLTZHMWJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-12-14-7-9(2)11(16-12)15-10-5-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80830256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).