6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine

C16H20N4 — CID 79739582

IUPAC6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(C2CCc3cccnc32)c1C
InChIInChI=1S/C16H20N4/c1-3-8-18-16-11(2)14(19-10-20-16)13-7-6-12-5-4-9-17-15(12)13/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,18,19,20)
InChIKeyJZSCDPFSKPRNON-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds4

About 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine

6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 79739582) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID79739582
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(C2CCc3cccnc32)c1C
InChIInChI=1S/C16H20N4/c1-3-8-18-16-11(2)14(19-10-20-16)13-7-6-12-5-4-9-17-15(12)13/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,18,19,20)
InChIKeyJZSCDPFSKPRNON-UHFFFAOYSA-N
XLogP3.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
CID 102753592
N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine
CID 79739368
7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739769
N-methyl-5-propyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyrimidin-4-amine
CID 79722748
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80751574
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 102923634
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylcyclopentan-1-amine
CID 79738593
1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine
CID 79739450
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine
CID 79722455

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine (CID 79739582) is 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(C2CCc3cccnc32)c1C.
What is the InChIKey of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is JZSCDPFSKPRNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-8-18-16-11(2)14(19-10-20-16)13-7-6-12-5-4-9-17-15(12)13/h4-5,9-10,13H,3,6-8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine?
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79739582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).