5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine

C19H21N5 — CID 21101302

IUPAC5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc3ccccc3c2)c(N2CCCCC2)n1
InChIInChI=1S/C19H21N5/c20-17-16(15-9-8-13-6-2-3-7-14(13)12-15)18(23-19(21)22-17)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H4,20,21,22,23)
InChIKeyDCZLCPDIEPVJQW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.45
Rot. Bonds2

About 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine

5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 21101302) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID21101302
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc3ccccc3c2)c(N2CCCCC2)n1
InChIInChI=1S/C19H21N5/c20-17-16(15-9-8-13-6-2-3-7-14(13)12-15)18(23-19(21)22-17)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H4,20,21,22,23)
InChIKeyDCZLCPDIEPVJQW-UHFFFAOYSA-N
XLogP3.45
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 10685135
4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543614
5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
CID 67364048
1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219664
formamide;1-naphthalen-2-ylpiperidine
CID 175550918
1-[9-phenyl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219481
4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 56950109
5-naphthalen-2-ylpyrimidin-2-amine
CID 139194225
1-(9-fluoranthen-3-yl-10-naphthalen-2-yl-6-piperidin-1-ylanthracen-2-yl)piperidine
CID 59219893
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
CID 102290398

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 21101302) is 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine is Nc1nc(N)c(-c2ccc3ccccc3c2)c(N2CCCCC2)n1.
What is the InChIKey of 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is DCZLCPDIEPVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c20-17-16(15-9-8-13-6-2-3-7-14(13)12-15)18(23-19(21)22-17)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H4,20,21,22,23).
What are the key properties of 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 21101302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).