N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine

C9H17N3 — CID 90452825

IUPACN,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(N(C)C(C)C)NC=N1
InChIInChI=1S/C9H17N3/c1-7(2)12(4)9-5-8(3)10-6-11-9/h5-8H,1-4H3,(H,10,11)
InChIKeyQKHXKMPJEMEAAP-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.19
Rot. Bonds2

About N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine

N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine (PubChem CID 90452825) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine
PubChem CID90452825
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine
SMILESCC1C=C(N(C)C(C)C)NC=N1
InChIInChI=1S/C9H17N3/c1-7(2)12(4)9-5-8(3)10-6-11-9/h5-8H,1-4H3,(H,10,11)
InChIKeyQKHXKMPJEMEAAP-UHFFFAOYSA-N
XLogP1.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine?
The IUPAC name of N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine (CID 90452825) is N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine is CC1C=C(N(C)C(C)C)NC=N1.
What is the InChIKey of N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine?
The InChIKey is QKHXKMPJEMEAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)12(4)9-5-8(3)10-6-11-9/h5-8H,1-4H3,(H,10,11).
What are the key properties of N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine?
N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine has a molecular weight of 167.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 90452825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).