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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Related Compounds

4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80811378
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815269
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767350
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719
4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80844969
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495
N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
CID 80668097
4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80799568
4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833627
N-butyl-N-cyclopropyl-6-(methylaminomethyl)pyridin-2-amine
CID 62283573

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).