2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine

C18H26N6 — CID 72792974

IUPAC2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2ccccn2)c(NC2CCNCC2)n1
InChIInChI=1S/C18H26N6/c1-2-3-9-21-18-22-13-15(16-6-4-5-10-20-16)17(24-18)23-14-7-11-19-12-8-14/h4-6,10,13-14,19H,2-3,7-9,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyARSCEEUSPNVXQA-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.91
Rot. Bonds7

About 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine

2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 72792974) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine
PubChem CID72792974
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2ccccn2)c(NC2CCNCC2)n1
InChIInChI=1S/C18H26N6/c1-2-3-9-21-18-22-13-15(16-6-4-5-10-20-16)17(24-18)23-14-7-11-19-12-8-14/h4-6,10,13-14,19H,2-3,7-9,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyARSCEEUSPNVXQA-UHFFFAOYSA-N
XLogP2.91
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine (CID 72792974) is 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine is CCCCNc1ncc(-c2ccccn2)c(NC2CCNCC2)n1.
What is the InChIKey of 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is ARSCEEUSPNVXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-2-3-9-21-18-22-13-15(16-6-4-5-10-20-16)17(24-18)23-14-7-11-19-12-8-14/h4-6,10,13-14,19H,2-3,7-9,11-12H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine?
2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 72792974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).