4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine

C15H27N5 — CID 80818981

IUPAC4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCC(C)N1CCCCC1
InChIInChI=1S/C15H27N5/c1-3-7-13-14(16)18-11-19-15(13)17-10-12(2)20-8-5-4-6-9-20/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyJPPVJNBZQWXDBX-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.30
Rot. Bonds6

About 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine

4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80818981) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80818981
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCC(C)N1CCCCC1
InChIInChI=1S/C15H27N5/c1-3-7-13-14(16)18-11-19-15(13)17-10-12(2)20-8-5-4-6-9-20/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyJPPVJNBZQWXDBX-UHFFFAOYSA-N
XLogP2.30
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
6-hydrazinyl-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80900343
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
CID 113450992
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
CID 114046187
6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine
CID 80819636

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine (CID 80818981) is 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCC(C)N1CCCCC1.
What is the InChIKey of 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is JPPVJNBZQWXDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-7-13-14(16)18-11-19-15(13)17-10-12(2)20-8-5-4-6-9-20/h11-12H,3-10H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).