N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline

C17H18N4 — CID 172689218

IUPACN,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline
SMILESCCN(CC)c1ccc(-c2ncc3cccnc3n2)cc1
InChIInChI=1S/C17H18N4/c1-3-21(4-2)15-9-7-13(8-10-15)16-19-12-14-6-5-11-18-17(14)20-16/h5-12H,3-4H2,1-2H3
InChIKeyBLFSNEDCOFZRKM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.54
Rot. Bonds4

About N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline

N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline (PubChem CID 172689218) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline
PubChem CID172689218
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline
SMILESCCN(CC)c1ccc(-c2ncc3cccnc3n2)cc1
InChIInChI=1S/C17H18N4/c1-3-21(4-2)15-9-7-13(8-10-15)16-19-12-14-6-5-11-18-17(14)20-16/h5-12H,3-4H2,1-2H3
InChIKeyBLFSNEDCOFZRKM-UHFFFAOYSA-N
XLogP3.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-quinazolin-2-ylaniline
CID 22356712
2-pyridin-4-ylpyrido[2,3-d]pyrimidine
CID 150520199
2-pyrimidin-5-ylpyrido[2,3-d]pyrimidine
CID 123157020
N,N-diethyl-4-(2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)aniline
CID 11281899
4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline
CID 101468768
2-(5-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine
CID 141003087
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-(1,3-oxazol-2-yl)aniline
CID 23047077
4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine
CID 175630107
1,8-naphthyridine;propane
CID 142433930
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-(4-ethylphenyl)-7-methylpurine
CID 163305532

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline?
The IUPAC name of N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline (CID 172689218) is N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline.
What is the SMILES notation for N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline?
The canonical SMILES for N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline is CCN(CC)c1ccc(-c2ncc3cccnc3n2)cc1.
What is the InChIKey of N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline?
The InChIKey is BLFSNEDCOFZRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-21(4-2)15-9-7-13(8-10-15)16-19-12-14-6-5-11-18-17(14)20-16/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline?
N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline has a molecular weight of 278.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-pyrido[2,3-d]pyrimidin-2-ylaniline is sourced from PubChem (CID 172689218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).