3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol

C12H21N5O — CID 72889129

IUPAC3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCc1cnc(N)nc1N1CCN(CCCO)CC1
InChIInChI=1S/C12H21N5O/c1-10-9-14-12(13)15-11(10)17-6-4-16(5-7-17)3-2-8-18/h9,18H,2-8H2,1H3,(H2,13,14,15)
InChIKeyFPVSVJKPFFHWTK-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.13
Rot. Bonds4

About 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol

3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol (PubChem CID 72889129) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
PubChem CID72889129
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCc1cnc(N)nc1N1CCN(CCCO)CC1
InChIInChI=1S/C12H21N5O/c1-10-9-14-12(13)15-11(10)17-6-4-16(5-7-17)3-2-8-18/h9,18H,2-8H2,1H3,(H2,13,14,15)
InChIKeyFPVSVJKPFFHWTK-UHFFFAOYSA-N
XLogP-0.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol (CID 72889129) is 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol is Cc1cnc(N)nc1N1CCN(CCCO)CC1.
What is the InChIKey of 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is FPVSVJKPFFHWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-9-14-12(13)15-11(10)17-6-4-16(5-7-17)3-2-8-18/h9,18H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 251.33 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-5-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 72889129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).