[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid

C15H19N5O2 — CID 67693508

IUPAC[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid
SMILESCN(C)c1cc(N(C)C)nc(N(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-18(2)12-10-13(19(3)4)17-14(16-12)20(15(21)22)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,21,22)
InChIKeyIUQMJZXPZUDFLM-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.42
Rot. Bonds4

About [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid

[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid (PubChem CID 67693508) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid
PubChem CID67693508
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid
SMILESCN(C)c1cc(N(C)C)nc(N(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-18(2)12-10-13(19(3)4)17-14(16-12)20(15(21)22)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,21,22)
InChIKeyIUQMJZXPZUDFLM-UHFFFAOYSA-N
XLogP2.42
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid?
The IUPAC name of [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid (CID 67693508) is [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid.
What is the SMILES notation for [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid?
The canonical SMILES for [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid is CN(C)c1cc(N(C)C)nc(N(C(=O)O)c2ccccc2)n1.
What is the InChIKey of [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid?
The InChIKey is IUQMJZXPZUDFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-18(2)12-10-13(19(3)4)17-14(16-12)20(15(21)22)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,21,22).
What are the key properties of [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid?
[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid has a molecular weight of 301.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid is sourced from PubChem (CID 67693508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).