2-piperidin-1-ylpyrimidine-4,6-diamine

C9H15N5 — CID 16653160

IUPAC2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C9H15N5/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)
InChIKeyVMRLTXDXQQGXMR-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.63
Rot. Bonds1

About 2-piperidin-1-ylpyrimidine-4,6-diamine

2-piperidin-1-ylpyrimidine-4,6-diamine (PubChem CID 16653160) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-piperidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-piperidin-1-ylpyrimidine-4,6-diamine
PubChem CID16653160
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-piperidin-1-ylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C9H15N5/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)
InChIKeyVMRLTXDXQQGXMR-UHFFFAOYSA-N
XLogP0.63
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-Triaminopyrimidine
CID 13863
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 14585243
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamine
CID 24798595
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
4-(4-Methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-ylamine
CID 25130912
N2-isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233801

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-piperidin-1-ylpyrimidine-4,6-diamine (CID 16653160) is 2-piperidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-piperidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-piperidin-1-ylpyrimidine-4,6-diamine is Nc1cc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is VMRLTXDXQQGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13).
What are the key properties of 2-piperidin-1-ylpyrimidine-4,6-diamine?
2-piperidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 16653160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).