2-N-piperidin-4-ylpyrimidine-2,4-diamine

C9H15N5 — CID 70341229

IUPAC2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCNCC2)n1
InChIInChI=1S/C9H15N5/c10-8-3-6-12-9(14-8)13-7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2,(H3,10,12,13,14)
InChIKeyLQAWNIYUTKBCHH-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.22
Rot. Bonds2

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

2-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 70341229) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID70341229
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESNc1ccnc(NC2CCNCC2)n1
InChIInChI=1S/C9H15N5/c10-8-3-6-12-9(14-8)13-7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2,(H3,10,12,13,14)
InChIKeyLQAWNIYUTKBCHH-UHFFFAOYSA-N
XLogP0.22
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
N-piperidin-4-yl-4-propan-2-ylpyrimidin-2-amine
CID 58990485
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
CID 142347682
6-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 115025325
2-N-(1-pyrimidin-5-ylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 59744219
2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 116797194
4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 70775017
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
N-cyclopropyl-4-iodopyrimidin-2-amine
CID 130116480
2-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrimidine-2,4-diamine
CID 116795448
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203

Frequently Asked Questions

What is the IUPAC name of 2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 70341229) is 2-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-piperidin-4-ylpyrimidine-2,4-diamine is Nc1ccnc(NC2CCNCC2)n1.
What is the InChIKey of 2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is LQAWNIYUTKBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-3-6-12-9(14-8)13-7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2,(H3,10,12,13,14).
What are the key properties of 2-N-piperidin-4-ylpyrimidine-2,4-diamine?
2-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 70341229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).