4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol

C14H24N4O2 — CID 81132043

IUPAC4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCCCc1nc(NC)cc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C14H24N4O2/c1-3-4-11-17-12(15-2)9-13(18-11)16-10-14(19)5-7-20-8-6-14/h9,19H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyXCBSMYMALAYHBS-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds6

About 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol

4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 81132043) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID81132043
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCCCc1nc(NC)cc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C14H24N4O2/c1-3-4-11-17-12(15-2)9-13(18-11)16-10-14(19)5-7-20-8-6-14/h9,19H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyXCBSMYMALAYHBS-UHFFFAOYSA-N
XLogP1.42
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol 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

3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103610
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130653
6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 104767328
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842902
1-[[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80941777
N-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955339
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80958761
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol (CID 81132043) is 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol is CCCc1nc(NC)cc(NCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is XCBSMYMALAYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-4-11-17-12(15-2)9-13(18-11)16-10-14(19)5-7-20-8-6-14/h9,19H,3-8,10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81132043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).