2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide

C19H24N4O2 — CID 118768094

IUPAC2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ncc3c(n2)CCC3)c(OCCCN)c1
InChIInChI=1S/C19H24N4O2/c1-13-6-7-15(17(10-13)25-9-3-8-20)19(24)22-12-18-21-11-14-4-2-5-16(14)23-18/h6-7,10-11H,2-5,8-9,12,20H2,1H3,(H,22,24)
InChIKeyFAQAAMAGLMVAAX-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.93
Rot. Bonds7

About 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide

2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide (PubChem CID 118768094) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide
PubChem CID118768094
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ncc3c(n2)CCC3)c(OCCCN)c1
InChIInChI=1S/C19H24N4O2/c1-13-6-7-15(17(10-13)25-9-3-8-20)19(24)22-12-18-21-11-14-4-2-5-16(14)23-18/h6-7,10-11H,2-5,8-9,12,20H2,1H3,(H,22,24)
InChIKeyFAQAAMAGLMVAAX-UHFFFAOYSA-N
XLogP1.93
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 167829729
2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 125179193
2-(3-aminopropoxy)-N-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-methylbenzamide
CID 126442911
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
2-(2-aminoethoxy)-N-[(2,5-dimethylphenyl)methyl]-4-methoxybenzamide
CID 118767250
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70786967
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide
CID 119062916
3-[[2-(3-aminopropoxy)-4-methylsulfanylbenzoyl]amino]-6-methyl-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 142973777
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125171601
2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709773
2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72866403

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide (CID 118768094) is 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ncc3c(n2)CCC3)c(OCCCN)c1.
What is the InChIKey of 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide?
The InChIKey is FAQAAMAGLMVAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-6-7-15(17(10-13)25-9-3-8-20)19(24)22-12-18-21-11-14-4-2-5-16(14)23-18/h6-7,10-11H,2-5,8-9,12,20H2,1H3,(H,22,24).
What are the key properties of 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide?
2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide has a molecular weight of 340.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 118768094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).