[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate

C23H26N4O2 — CID 127037137

IUPAC[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)C(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26)
InChIKeyXVEHWBLCGNKVCO-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.01
Rot. Bonds5

About [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate

[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 127037137) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate
PubChem CID127037137
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)C(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26)
InChIKeyXVEHWBLCGNKVCO-UHFFFAOYSA-N
XLogP5.01
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zotiraciclib
CID 16739650
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
[3-(2-Amino-6-phenylpyrimidin-4-yl)phenyl] pyrrolidine-1-carboxylate
CID 127036831
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-diethylcarbamate
CID 127037136
[3-(2-Amino-6-phenylpyrimidin-4-yl)phenyl] 4-methylpiperazine-1-carboxylate
CID 127037154
4-(3,4-Dimethoxyphenyl)-6-phenyl-2-(1-pyrrolidinyl)pyrimidine
CID 630454
Mls000666632
CID 135401499
1-Ethyl-3-(3-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl]-phenyl)-urea
CID 11495480
6-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 11516699
6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11639470
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11646256

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate (CID 127037137) is [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)C(C)C.
What is the InChIKey of [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is XVEHWBLCGNKVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26).
What are the key properties of [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate?
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 390.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 127037137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).