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

C13H22N4O — CID 80982978

IUPAC2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCC2CCCOC2)n1
InChIInChI=1S/C13H22N4O/c1-3-11-16-12(14)9(2)13(17-11)15-7-10-5-4-6-18-8-10/h10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGUWSMAFBSAZBRB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds4

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

2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80982978) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80982978
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCC2CCCOC2)n1
InChIInChI=1S/C13H22N4O/c1-3-11-16-12(14)9(2)13(17-11)15-7-10-5-4-6-18-8-10/h10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGUWSMAFBSAZBRB-UHFFFAOYSA-N
XLogP1.77
TPSA73.06 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80813809
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
6-chloro-2-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,5-diamine
CID 59374572
2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991755
2-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994083
4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359238
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80985429
6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80983011
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (CID 80982978) is 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCC2CCCOC2)n1.
What is the InChIKey of 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is GUWSMAFBSAZBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-16-12(14)9(2)13(17-11)15-7-10-5-4-6-18-8-10/h10H,3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80982978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).