4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C15H27N5 — CID 114516944

IUPAC4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-3-8-17-15-18-10-5-14(19-15)16-9-4-13-6-11-20(2)12-7-13/h5,10,13H,3-4,6-9,11-12H2,1-2H3,(H2,16,17,18,19)
InChIKeySDLJOTZIWZLLGG-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.44
Rot. Bonds7

About 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 114516944) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID114516944
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-3-8-17-15-18-10-5-14(19-15)16-9-4-13-6-11-20(2)12-7-13/h5,10,13H,3-4,6-9,11-12H2,1-2H3,(H2,16,17,18,19)
InChIKeySDLJOTZIWZLLGG-UHFFFAOYSA-N
XLogP2.44
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 114515997
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 114516944) is 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCCC2CCN(C)CC2)n1.
What is the InChIKey of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is SDLJOTZIWZLLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-8-17-15-18-10-5-14(19-15)16-9-4-13-6-11-20(2)12-7-13/h5,10,13H,3-4,6-9,11-12H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 114516944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).