4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde

C16H17N3O2 — CID 170718004

IUPAC4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde
SMILESNc1nc(C2CCCC2)nc(Oc2ccccc2)c1C=O
InChIInChI=1S/C16H17N3O2/c17-14-13(10-20)16(21-12-8-2-1-3-9-12)19-15(18-14)11-6-4-5-7-11/h1-3,8-11H,4-7H2,(H2,17,18,19)
InChIKeyNORGPSHIVGFMSK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.32
Rot. Bonds4

About 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde

4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde (PubChem CID 170718004) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde
PubChem CID170718004
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde
SMILESNc1nc(C2CCCC2)nc(Oc2ccccc2)c1C=O
InChIInChI=1S/C16H17N3O2/c17-14-13(10-20)16(21-12-8-2-1-3-9-12)19-15(18-14)11-6-4-5-7-11/h1-3,8-11H,4-7H2,(H2,17,18,19)
InChIKeyNORGPSHIVGFMSK-UHFFFAOYSA-N
XLogP3.32
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-cyclopentyloxy-6-(2-fluorophenoxy)pyrimidine-5-carboxamide
CID 70683675
4-Amino-6-ethoxy-2-(4-methoxyanilino)pyrimidine-5-carbaldehyde
CID 17753745
4-Amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde
CID 46222321
2-Amino-4-methoxy-6-phenylmethoxypyrimidine-5-carbaldehyde
CID 89672338
6-(Cyclohexylmethoxy)-5-(furan-2-yl)pyrimidine-2,4-diamine
CID 46221880
4-Amino-6-[(3-fluorophenyl)methoxy]pyrimidine-5-carbaldehyde
CID 87389801
4-Amino-6-[(4-fluorophenyl)methoxy]pyrimidine-5-carbaldehyde
CID 87390067
4-Amino-6-[(2-fluorophenyl)methoxy]pyrimidine-5-carbaldehyde
CID 87390609
Ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate
CID 170718339
Methyl 4-amino-2-(1,1-difluoroethyl)-6-phenoxypyrimidine-5-carboxylate
CID 177950497
1-(4-Amino-6-butoxy-2-phenylpyrimidin-5-yl)ethan-1-one
CID 156598464
2-Amino-4-cyclohexylmethoxy-6-(4-methoxybenzyl)amino-5-pyrimidine Carbaldehyde
CID 9842334

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde (CID 170718004) is 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde is Nc1nc(C2CCCC2)nc(Oc2ccccc2)c1C=O.
What is the InChIKey of 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde?
The InChIKey is NORGPSHIVGFMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-14-13(10-20)16(21-12-8-2-1-3-9-12)19-15(18-14)11-6-4-5-7-11/h1-3,8-11H,4-7H2,(H2,17,18,19).
What are the key properties of 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde?
4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde has a molecular weight of 283.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-6-phenoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 170718004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).