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

C11H18N4O — CID 80815623

IUPAC5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1CCCCO1
InChIInChI=1S/C11H18N4O/c1-8-6-14-11(12)15-10(8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H3,12,13,14,15)
InChIKeyVTPSSOJBEZJMEL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds3

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

5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80815623) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80815623
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1CCCCO1
InChIInChI=1S/C11H18N4O/c1-8-6-14-11(12)15-10(8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H3,12,13,14,15)
InChIKeyVTPSSOJBEZJMEL-UHFFFAOYSA-N
XLogP1.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 80815292
4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 114106998
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80982416
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80815623) is 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cnc(N)nc1NCC1CCCCO1.
What is the InChIKey of 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VTPSSOJBEZJMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-14-11(12)15-10(8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80815623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).