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

C16H21N5O — CID 112899132

IUPACN-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H21N5O/c1-4-21(5-2)15-10-11-17-16(20-15)19-14-8-6-13(7-9-14)18-12(3)22/h6-11H,4-5H2,1-3H3,(H,18,22)(H,17,19,20)
InChIKeyATKMEDPDMOPSDQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.02
Rot. Bonds6

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

N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112899132) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112899132
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H21N5O/c1-4-21(5-2)15-10-11-17-16(20-15)19-14-8-6-13(7-9-14)18-12(3)22/h6-11H,4-5H2,1-3H3,(H,18,22)(H,17,19,20)
InChIKeyATKMEDPDMOPSDQ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901225
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902066
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-[4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112883612
2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
ethyl 4-[[4-(dipropylamino)pyrimidin-2-yl]amino]benzoate
CID 112901242
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166358351
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 112899132) is N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide is CCN(CC)c1ccnc(Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is ATKMEDPDMOPSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-21(5-2)15-10-11-17-16(20-15)19-14-8-6-13(7-9-14)18-12(3)22/h6-11H,4-5H2,1-3H3,(H,18,22)(H,17,19,20).
What are the key properties of N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 299.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112899132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).