N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

C14H23N3O2 — CID 107389737

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)12-6-10(3)16-13(17-12)15-7-11-8-18-14(4,5)19-11/h6,9,11H,7-8H2,1-5H3,(H,15,16,17)
InChIKeyXULVTNHOXFDGSL-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.47
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 107389737) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID107389737
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)12-6-10(3)16-13(17-12)15-7-11-8-18-14(4,5)19-11/h6,9,11H,7-8H2,1-5H3,(H,15,16,17)
InChIKeyXULVTNHOXFDGSL-UHFFFAOYSA-N
XLogP2.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-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-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (CID 107389737) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is Cc1cc(C(C)C)nc(NCC2COC(C)(C)O2)n1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is XULVTNHOXFDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)12-6-10(3)16-13(17-12)15-7-11-8-18-14(4,5)19-11/h6,9,11H,7-8H2,1-5H3,(H,15,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 107389737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).