3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

C12H22N4O — CID 80851233

IUPAC3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NCC(C)CCO)ncn1
InChIInChI=1S/C12H22N4O/c1-3-5-13-11-7-12(16-9-15-11)14-8-10(2)4-6-17/h7,9-10,17H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJWJZSBCZRUXQRY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds8

About 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 80851233) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID80851233
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NCC(C)CCO)ncn1
InChIInChI=1S/C12H22N4O/c1-3-5-13-11-7-12(16-9-15-11)14-8-10(2)4-6-17/h7,9-10,17H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJWJZSBCZRUXQRY-UHFFFAOYSA-N
XLogP1.73
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885147
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 80851233) is 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1cc(NCC(C)CCO)ncn1.
What is the InChIKey of 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is JWJZSBCZRUXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-13-11-7-12(16-9-15-11)14-8-10(2)4-6-17/h7,9-10,17H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80851233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).