3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine

C9H17N5O — CID 163171510

IUPAC3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
SMILESNC1=NC(N2CCCCC2)=CC(N)N1O
InChIInChI=1S/C9H17N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7,15H,1-5,10H2,(H2,11,12)
InChIKeyVOESACKWNXBXLV-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.38
Rot. Bonds1

About 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine

3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine (PubChem CID 163171510) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
PubChem CID163171510
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
SMILESNC1=NC(N2CCCCC2)=CC(N)N1O
InChIInChI=1S/C9H17N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7,15H,1-5,10H2,(H2,11,12)
InChIKeyVOESACKWNXBXLV-UHFFFAOYSA-N
XLogP-0.38
TPSA91.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
The IUPAC name of 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine (CID 163171510) is 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine.
What is the SMILES notation for 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
The canonical SMILES for 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine is NC1=NC(N2CCCCC2)=CC(N)N1O.
What is the InChIKey of 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
The InChIKey is VOESACKWNXBXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7,15H,1-5,10H2,(H2,11,12).
What are the key properties of 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine is sourced from PubChem (CID 163171510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).