6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine

C17H18N6 — CID 19137290

IUPAC6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc3cccnc23)ncnc1N1CCCC1
InChIInChI=1S/C17H18N6/c18-14-16(20-11-21-17(14)23-9-1-2-10-23)22-13-7-3-5-12-6-4-8-19-15(12)13/h3-8,11H,1-2,9-10,18H2,(H,20,21,22)
InChIKeyVBMFBFRHIMHKKI-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.95
Rot. Bonds3

About 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine

6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine (PubChem CID 19137290) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
PubChem CID19137290
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc3cccnc23)ncnc1N1CCCC1
InChIInChI=1S/C17H18N6/c18-14-16(20-11-21-17(14)23-9-1-2-10-23)22-13-7-3-5-12-6-4-8-19-15(12)13/h3-8,11H,1-2,9-10,18H2,(H,20,21,22)
InChIKeyVBMFBFRHIMHKKI-UHFFFAOYSA-N
XLogP2.95
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144818
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144853
1-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19144981
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144751
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
6-(azepan-1-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544049
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144827
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
CID 22543393
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine (CID 19137290) is 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine is Nc1c(Nc2cccc3cccnc23)ncnc1N1CCCC1.
What is the InChIKey of 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The InChIKey is VBMFBFRHIMHKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c18-14-16(20-11-21-17(14)23-9-1-2-10-23)22-13-7-3-5-12-6-4-8-19-15(12)13/h3-8,11H,1-2,9-10,18H2,(H,20,21,22).
What are the key properties of 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine has a molecular weight of 306.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).