N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine

C12H23N3 — CID 134549537

IUPACN-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine
SMILESCCCCNC1=CCN=C(CC(C)C)N1
InChIInChI=1S/C12H23N3/c1-4-5-7-13-11-6-8-14-12(15-11)9-10(2)3/h6,10,13H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyHYVMISGMTQWGIQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.27
Rot. Bonds6

About N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine

N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine (PubChem CID 134549537) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound NameN-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine
PubChem CID134549537
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine
SMILESCCCCNC1=CCN=C(CC(C)C)N1
InChIInChI=1S/C12H23N3/c1-4-5-7-13-11-6-8-14-12(15-11)9-10(2)3/h6,10,13H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyHYVMISGMTQWGIQ-UHFFFAOYSA-N
XLogP2.27
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine?
The IUPAC name of N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine (CID 134549537) is N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine is CCCCNC1=CCN=C(CC(C)C)N1.
What is the InChIKey of N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine?
The InChIKey is HYVMISGMTQWGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-7-13-11-6-8-14-12(15-11)9-10(2)3/h6,10,13H,4-5,7-9H2,1-3H3,(H,14,15).
What are the key properties of N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine?
N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine has a molecular weight of 209.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 134549537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).