2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

C14H26N4O — CID 80779958

IUPAC2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncnc(NC(C)(C)CO)c1CCC
InChIInChI=1S/C14H26N4O/c1-5-7-11-12(15-8-6-2)16-10-17-13(11)18-14(3,4)9-19/h10,19H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyVMNPFJLIBADEHJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.43
Rot. Bonds8

About 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80779958) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80779958
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncnc(NC(C)(C)CO)c1CCC
InChIInChI=1S/C14H26N4O/c1-5-7-11-12(15-8-6-2)16-10-17-13(11)18-14(3,4)9-19/h10,19H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyVMNPFJLIBADEHJ-UHFFFAOYSA-N
XLogP2.43
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-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

5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 80840015
[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457178
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80779958) is 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1ncnc(NC(C)(C)CO)c1CCC.
What is the InChIKey of 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is VMNPFJLIBADEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-7-11-12(15-8-6-2)16-10-17-13(11)18-14(3,4)9-19/h10,19H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80779958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).