4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine

C12H20N4O2 — CID 80955282

IUPAC4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCC2COCCO2)n1
InChIInChI=1S/C12H20N4O2/c1-2-3-11-15-10(13)6-12(16-11)14-7-9-8-17-4-5-18-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyLSHXTTKQEVTCRZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.84
Rot. Bonds5

About 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine

4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80955282) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80955282
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCC2COCCO2)n1
InChIInChI=1S/C12H20N4O2/c1-2-3-11-15-10(13)6-12(16-11)14-7-9-8-17-4-5-18-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyLSHXTTKQEVTCRZ-UHFFFAOYSA-N
XLogP0.84
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80797035
4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967954
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine
CID 80647845
2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80950697
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-chloro-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545295
4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 82736136
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine (CID 80955282) is 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCC2COCCO2)n1.
What is the InChIKey of 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is LSHXTTKQEVTCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-11-15-10(13)6-12(16-11)14-7-9-8-17-4-5-18-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine?
4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 252.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).