4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine

C19H19ClN4O — CID 16746118

IUPAC4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESCCC(C)Oc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIInChI=1S/C19H19ClN4O/c1-3-13(2)25-18-11-14(7-9-21-18)17-8-10-22-19(24-17)23-16-6-4-5-15(20)12-16/h4-13H,3H2,1-2H3,(H,22,23,24)
InChIKeyASJKXLWMEDOKEV-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.11
Rot. Bonds6

About 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine

4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine (PubChem CID 16746118) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
PubChem CID16746118
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESCCC(C)Oc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIInChI=1S/C19H19ClN4O/c1-3-13(2)25-18-11-14(7-9-21-18)17-8-10-22-19(24-17)23-16-6-4-5-15(20)12-16/h4-13H,3H2,1-2H3,(H,22,23,24)
InChIKeyASJKXLWMEDOKEV-UHFFFAOYSA-N
XLogP5.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate
CID 67365198
4-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 25122224
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylidenehydrazinyl)-4-pyridinyl]pyrimidin-2-amine
CID 142249187
4-[2-(3-chloroanilino)-4-pyridinyl]-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 67389770
1-aminopropan-1-ol;4-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 19689591
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
CID 11509378
N-(3-chlorophenyl)-4-(4-methoxy-3-nitrophenyl)pyrimidin-2-amine
CID 10247713
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine (CID 16746118) is 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine is CCC(C)Oc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1.
What is the InChIKey of 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The InChIKey is ASJKXLWMEDOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-3-13(2)25-18-11-14(7-9-21-18)17-8-10-22-19(24-17)23-16-6-4-5-15(20)12-16/h4-13H,3H2,1-2H3,(H,22,23,24).
What are the key properties of 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine has a molecular weight of 354.84 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 16746118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).