4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C11H18N4O — CID 74665126

IUPAC4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C11H18N4O/c1-15(2)11-6-10(13-8-14-11)12-7-9-4-3-5-16-9/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyLPHVDLVKTKGCTO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.13
Rot. Bonds4

About 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 74665126) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID74665126
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C11H18N4O/c1-15(2)11-6-10(13-8-14-11)12-7-9-4-3-5-16-9/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyLPHVDLVKTKGCTO-UHFFFAOYSA-N
XLogP1.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 74665126) is 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is CN(C)c1cc(NCC2CCCO2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is LPHVDLVKTKGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(2)11-6-10(13-8-14-11)12-7-9-4-3-5-16-9/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 74665126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).