4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol

C12H22N4O — CID 80852599

IUPAC4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)10-11(13)14-7-15-12(10)16-9(3)5-4-6-17/h7-9,17H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyBFHFOGZVJGAGQU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.76
Rot. Bonds6

About 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol

4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 80852599) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID80852599
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)10-11(13)14-7-15-12(10)16-9(3)5-4-6-17/h7-9,17H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyBFHFOGZVJGAGQU-UHFFFAOYSA-N
XLogP1.76
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782939
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83180449
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198795
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 104830574
4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
CID 80852295
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
2-[3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]propoxy]ethanol
CID 114172023
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80779997

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol (CID 80852599) is 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol is CC(CCCO)Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is BFHFOGZVJGAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)10-11(13)14-7-15-12(10)16-9(3)5-4-6-17/h7-9,17H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 80852599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).