N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

C17H29N3O — CID 133472588

IUPACN-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)(C)CC2CCOCC2)nc(C)n1
InChIInChI=1S/C17H29N3O/c1-5-15-10-16(20-13(2)19-15)18-12-17(3,4)11-14-6-8-21-9-7-14/h10,14H,5-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyQTAQPMARURYJPJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.60
Rot. Bonds6

About N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133472588) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133472588
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(C)(C)CC2CCOCC2)nc(C)n1
InChIInChI=1S/C17H29N3O/c1-5-15-10-16(20-13(2)19-15)18-12-17(3,4)11-14-6-8-21-9-7-14/h10,14H,5-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyQTAQPMARURYJPJ-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-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-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133472588) is N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCC(C)(C)CC2CCOCC2)nc(C)n1.
What is the InChIKey of N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is QTAQPMARURYJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-15-10-16(20-13(2)19-15)18-12-17(3,4)11-14-6-8-21-9-7-14/h10,14H,5-9,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133472588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).