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

C13H22N4O — CID 80846604

IUPAC4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CC2CCCOC2)c1C
InChIInChI=1S/C13H22N4O/c1-10-12(14-2)15-9-16-13(10)17(3)7-11-5-4-6-18-8-11/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyKXQKZDUPUSFXAB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds4

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

4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80846604) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80846604
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CC2CCCOC2)c1C
InChIInChI=1S/C13H22N4O/c1-10-12(14-2)15-9-16-13(10)17(3)7-11-5-4-6-18-8-11/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyKXQKZDUPUSFXAB-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (CID 80846604) is 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is CNc1ncnc(N(C)CC2CCCOC2)c1C.
What is the InChIKey of 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KXQKZDUPUSFXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(14-2)15-9-16-13(10)17(3)7-11-5-4-6-18-8-11/h9,11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80846604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).