6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

C12H22N4 — CID 80774664

IUPAC6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(c1cc(NC)nc(C)n1)C(C)C
InChIInChI=1S/C12H22N4/c1-6-7-16(9(2)3)12-8-11(13-5)14-10(4)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyZNQNHCAXIJUYDF-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.45
Rot. Bonds5

About 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80774664) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80774664
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(c1cc(NC)nc(C)n1)C(C)C
InChIInChI=1S/C12H22N4/c1-6-7-16(9(2)3)12-8-11(13-5)14-10(4)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyZNQNHCAXIJUYDF-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (CID 80774664) is 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is CCCN(c1cc(NC)nc(C)n1)C(C)C.
What is the InChIKey of 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZNQNHCAXIJUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-7-16(9(2)3)12-8-11(13-5)14-10(4)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80774664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).