N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide

C16H21N5O — CID 162626179

IUPACN-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H21N5O/c1-12(22)17-10-11-19-16-18-9-8-15(20-16)13-4-6-14(7-5-13)21(2)3/h4-9H,10-11H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyCJGHDSKETKGHDW-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.76
Rot. Bonds6

About N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide

N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 162626179) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID162626179
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H21N5O/c1-12(22)17-10-11-19-16-18-9-8-15(20-16)13-4-6-14(7-5-13)21(2)3/h4-9H,10-11H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyCJGHDSKETKGHDW-UHFFFAOYSA-N
XLogP1.76
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.76
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

4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide
CID 132849067
2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol
CID 163317563
N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 162626102
1-[(3S,3aR,6S,6aR)-3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-ethylurea
CID 11939796
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
[(3S,3aS,6S,6aS)-3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 162801824
5-[[(3S,3aS,6R,6aR)-3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 162795944
4-[4-(dimethylamino)phenyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 162627454

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide (CID 162626179) is N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nccc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is CJGHDSKETKGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(22)17-10-11-19-16-18-9-8-15(20-16)13-4-6-14(7-5-13)21(2)3/h4-9H,10-11H2,1-3H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 299.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 162626179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).