2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine

C12H20N4O — CID 75423627

IUPAC2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-15(2)12-13-7-4-11(14-12)16(3)10-5-8-17-9-6-10/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyJXZSMQXNBZTNMW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.16
Rot. Bonds3

About 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine (PubChem CID 75423627) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
PubChem CID75423627
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-15(2)12-13-7-4-11(14-12)16(3)10-5-8-17-9-6-10/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyJXZSMQXNBZTNMW-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine (CID 75423627) is 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
The InChIKey is JXZSMQXNBZTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)12-13-7-4-11(14-12)16(3)10-5-8-17-9-6-10/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 75423627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).