5-piperidin-4-ylpyrimidine-2,4-diamine

C9H15N5 — CID 22461017

IUPAC5-piperidin-4-ylpyrimidine-2,4-diamine
SMILESNc1ncc(C2CCNCC2)c(N)n1
InChIInChI=1S/C9H15N5/c10-8-7(5-13-9(11)14-8)6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H4,10,11,13,14)
InChIKeyMBCNUNBZIJKEMD-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.11
Rot. Bonds1

About 5-piperidin-4-ylpyrimidine-2,4-diamine

5-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 22461017) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID22461017
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name5-piperidin-4-ylpyrimidine-2,4-diamine
SMILESNc1ncc(C2CCNCC2)c(N)n1
InChIInChI=1S/C9H15N5/c10-8-7(5-13-9(11)14-8)6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H4,10,11,13,14)
InChIKeyMBCNUNBZIJKEMD-UHFFFAOYSA-N
XLogP0.11
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-piperidin-4-ylpyrimidine-2,4-diamine (CID 22461017) is 5-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-piperidin-4-ylpyrimidine-2,4-diamine is Nc1ncc(C2CCNCC2)c(N)n1.
What is the InChIKey of 5-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is MBCNUNBZIJKEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-7(5-13-9(11)14-8)6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H4,10,11,13,14).
What are the key properties of 5-piperidin-4-ylpyrimidine-2,4-diamine?
5-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 22461017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).