[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol

C12H21N5O — CID 66903855

IUPAC[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESNCCNc1nccc(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H21N5O/c13-4-6-15-12-14-5-3-11(16-12)17-7-1-2-10(8-17)9-18/h3,5,10,18H,1-2,4,6-9,13H2,(H,14,15,16)
InChIKeyKZQPOSJCISRGDB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.06
Rot. Bonds5

About [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 66903855) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID66903855
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESNCCNc1nccc(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H21N5O/c13-4-6-15-12-14-5-3-11(16-12)17-7-1-2-10(8-17)9-18/h3,5,10,18H,1-2,4,6-9,13H2,(H,14,15,16)
InChIKeyKZQPOSJCISRGDB-UHFFFAOYSA-N
XLogP0.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol (CID 66903855) is [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol is NCCNc1nccc(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is KZQPOSJCISRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-4-6-15-12-14-5-3-11(16-12)17-7-1-2-10(8-17)9-18/h3,5,10,18H,1-2,4,6-9,13H2,(H,14,15,16).
What are the key properties of [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 66903855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).