4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine

C13H22N4 — CID 80799717

IUPAC4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(c1cc(C)nc(NC)n1)C1CC1
InChIInChI=1S/C13H22N4/c1-4-5-8-17(11-6-7-11)12-9-10(2)15-13(14-3)16-12/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyRNAPKLGOSWBTLB-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.60
Rot. Bonds6

About 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80799717) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80799717
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(c1cc(C)nc(NC)n1)C1CC1
InChIInChI=1S/C13H22N4/c1-4-5-8-17(11-6-7-11)12-9-10(2)15-13(14-3)16-12/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyRNAPKLGOSWBTLB-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80799717) is 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine is CCCCN(c1cc(C)nc(NC)n1)C1CC1.
What is the InChIKey of 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is RNAPKLGOSWBTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-5-8-17(11-6-7-11)12-9-10(2)15-13(14-3)16-12/h9,11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).