N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

C9H19N3 — CID 130765697

IUPACN-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCC(C)(C)NC1=NCCCN1
InChIInChI=1S/C9H19N3/c1-4-9(2,3)12-8-10-6-5-7-11-8/h4-7H2,1-3H3,(H2,10,11,12)
InChIKeyLEPFPIDADLVJHD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.11
Rot. Bonds2

About N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 130765697) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID130765697
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCC(C)(C)NC1=NCCCN1
InChIInChI=1S/C9H19N3/c1-4-9(2,3)12-8-10-6-5-7-11-8/h4-7H2,1-3H3,(H2,10,11,12)
InChIKeyLEPFPIDADLVJHD-UHFFFAOYSA-N
XLogP1.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 130765697) is N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is CCC(C)(C)NC1=NCCCN1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is LEPFPIDADLVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-9(2,3)12-8-10-6-5-7-11-8/h4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 130765697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).