1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine

C9H17N5O — CID 19591725

IUPAC1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine
SMILESNC1=NC(N)(N2CCCCC2)C=CN1O
InChIInChI=1S/C9H17N5O/c10-8-12-9(11,4-7-14(8)15)13-5-2-1-3-6-13/h4,7,15H,1-3,5-6,11H2,(H2,10,12)
InChIKeyYORMLSOGUSMEGN-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.38
Rot. Bonds1

About 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine

1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 19591725) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID19591725
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine
SMILESNC1=NC(N)(N2CCCCC2)C=CN1O
InChIInChI=1S/C9H17N5O/c10-8-12-9(11,4-7-14(8)15)13-5-2-1-3-6-13/h4,7,15H,1-3,5-6,11H2,(H2,10,12)
InChIKeyYORMLSOGUSMEGN-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 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine (CID 19591725) is 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine is NC1=NC(N)(N2CCCCC2)C=CN1O.
What is the InChIKey of 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is YORMLSOGUSMEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-8-12-9(11,4-7-14(8)15)13-5-2-1-3-6-13/h4,7,15H,1-3,5-6,11H2,(H2,10,12).
What are the key properties of 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine?
1-hydroxy-4-piperidin-1-ylpyrimidine-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 1-hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 19591725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).