1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine

C9H19N3 — CID 20622495

IUPAC1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)CNC1=NCCCN1C
InChIInChI=1S/C9H19N3/c1-8(2)7-11-9-10-5-4-6-12(9)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyFVSPAWUFZRLMOD-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.92
Rot. Bonds2

About 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 20622495) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID20622495
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)CNC1=NCCCN1C
InChIInChI=1S/C9H19N3/c1-8(2)7-11-9-10-5-4-6-12(9)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyFVSPAWUFZRLMOD-UHFFFAOYSA-N
XLogP0.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 20622495) is 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine is CC(C)CNC1=NCCCN1C.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is FVSPAWUFZRLMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)7-11-9-10-5-4-6-12(9)3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 169.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 20622495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).