2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

C10H13N5O — CID 79492291

IUPAC2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2ccon2)n1
InChIInChI=1S/C10H13N5O/c1-15(2)10-11-5-3-9(13-10)12-7-8-4-6-16-14-8/h3-6H,7H2,1-2H3,(H,11,12,13)
InChIKeyNXAXWESZZXDUHH-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.14
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 79492291) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID79492291
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2ccon2)n1
InChIInChI=1S/C10H13N5O/c1-15(2)10-11-5-3-9(13-10)12-7-8-4-6-16-14-8/h3-6H,7H2,1-2H3,(H,11,12,13)
InChIKeyNXAXWESZZXDUHH-UHFFFAOYSA-N
XLogP1.14
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (CID 79492291) is 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is CN(C)c1nccc(NCc2ccon2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NXAXWESZZXDUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15(2)10-11-5-3-9(13-10)12-7-8-4-6-16-14-8/h3-6H,7H2,1-2H3,(H,11,12,13).
What are the key properties of 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 219.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 79492291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).