N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C18H22N4O — CID 95616906

IUPACN-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[C@H]1CCCc2ccccc21)NCCNc1ncccn1
InChIInChI=1S/C18H22N4O/c23-17(19-11-12-22-18-20-9-4-10-21-18)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-2,4-5,8-10,15H,3,6-7,11-13H2,(H,19,23)(H,20,21,22)/t15-/m1/s1
InChIKeyRFIOGRLALRWQNT-OAHLLOKOSA-N
MW310.40 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 95616906) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID95616906
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[C@H]1CCCc2ccccc21)NCCNc1ncccn1
InChIInChI=1S/C18H22N4O/c23-17(19-11-12-22-18-20-9-4-10-21-18)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-2,4-5,8-10,15H,3,6-7,11-13H2,(H,19,23)(H,20,21,22)/t15-/m1/s1
InChIKeyRFIOGRLALRWQNT-OAHLLOKOSA-N
XLogP2.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
N-(2-piperidin-3-ylethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119557713
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111442226
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
CID 50984766
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 95616906) is N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(C[C@H]1CCCc2ccccc21)NCCNc1ncccn1.
What is the InChIKey of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is RFIOGRLALRWQNT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17(19-11-12-22-18-20-9-4-10-21-18)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-2,4-5,8-10,15H,3,6-7,11-13H2,(H,19,23)(H,20,21,22)/t15-/m1/s1.
What are the key properties of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 95616906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).