2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde

C16H18N4O — CID 157030264

IUPAC2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde
SMILESCc1ccnc(-c2nc3c(c(N(C)CC=O)n2)CCC3)c1
InChIInChI=1S/C16H18N4O/c1-11-6-7-17-14(10-11)15-18-13-5-3-4-12(13)16(19-15)20(2)8-9-21/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyYQIJYJPNMQDGFJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.97
Rot. Bonds4

About 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde

2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde (PubChem CID 157030264) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde
PubChem CID157030264
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde
SMILESCc1ccnc(-c2nc3c(c(N(C)CC=O)n2)CCC3)c1
InChIInChI=1S/C16H18N4O/c1-11-6-7-17-14(10-11)15-18-13-5-3-4-12(13)16(19-15)20(2)8-9-21/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyYQIJYJPNMQDGFJ-UHFFFAOYSA-N
XLogP1.97
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde?
The IUPAC name of 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde (CID 157030264) is 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde?
The canonical SMILES for 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde is Cc1ccnc(-c2nc3c(c(N(C)CC=O)n2)CCC3)c1.
What is the InChIKey of 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde?
The InChIKey is YQIJYJPNMQDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-6-7-17-14(10-11)15-18-13-5-3-4-12(13)16(19-15)20(2)8-9-21/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde?
2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde has a molecular weight of 282.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde is sourced from PubChem (CID 157030264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).