5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine

C9H14ClN5 — CID 123192809

IUPAC5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCNCC2)c1Cl
InChIInChI=1S/C9H14ClN5/c10-7-8(11)13-5-14-9(7)15-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H3,11,13,14,15)
InChIKeyRABZUDIBJGYOIJ-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.88
Rot. Bonds2

About 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine

5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine (PubChem CID 123192809) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine
PubChem CID123192809
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCNCC2)c1Cl
InChIInChI=1S/C9H14ClN5/c10-7-8(11)13-5-14-9(7)15-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H3,11,13,14,15)
InChIKeyRABZUDIBJGYOIJ-UHFFFAOYSA-N
XLogP0.88
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-6-piperidin-1-yl-pyrimidin-5-ylamine
CID 1081836
N,N'-bis(5-chloropyrimidin-4-yl)propane-1,3-diamine
CID 86804849
5-chloro-4-N-[3-(diethylamino)propyl]-4-N-methylpyrimidine-4,6-diamine
CID 100648603
N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
CID 119035683
5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 122154146
5-chloro-4-N-[(2S)-2-(dimethylamino)-4-methylpentyl]pyrimidine-4,6-diamine
CID 164639407
N'-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 19983567
N'-(5-chloro-6-fluoropyrimidin-4-yl)ethane-1,2-diamine
CID 19983568
N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 54427498
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine
CID 71093748
1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine
CID 78006900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine (CID 123192809) is 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine is Nc1ncnc(NC2CCNCC2)c1Cl.
What is the InChIKey of 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The InChIKey is RABZUDIBJGYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c10-7-8(11)13-5-14-9(7)15-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H3,11,13,14,15).
What are the key properties of 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine has a molecular weight of 227.70 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 123192809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).