N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine

C14H22N4 — CID 117211459

IUPACN'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
SMILESNCCCNc1cnc(C2CCC2)nc1C1CC1
InChIInChI=1S/C14H22N4/c15-7-2-8-16-12-9-17-14(11-3-1-4-11)18-13(12)10-5-6-10/h9-11,16H,1-8,15H2
InChIKeyRYRPRPULDFABSN-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.38
Rot. Bonds6

About N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine

N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine (PubChem CID 117211459) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
PubChem CID117211459
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
SMILESNCCCNc1cnc(C2CCC2)nc1C1CC1
InChIInChI=1S/C14H22N4/c15-7-2-8-16-12-9-17-14(11-3-1-4-11)18-13(12)10-5-6-10/h9-11,16H,1-8,15H2
InChIKeyRYRPRPULDFABSN-UHFFFAOYSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine (CID 117211459) is N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine is NCCCNc1cnc(C2CCC2)nc1C1CC1.
What is the InChIKey of N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine?
The InChIKey is RYRPRPULDFABSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-7-2-8-16-12-9-17-14(11-3-1-4-11)18-13(12)10-5-6-10/h9-11,16H,1-8,15H2.
What are the key properties of N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine?
N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 117211459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).