4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide

C16H20N4O — CID 42670143

IUPAC4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C16H20N4O/c1-11(2)18-16(21)13-10-17-14(19-15(13)20(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,21)
InChIKeyZJTCKGAMOMFBJX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.35
Rot. Bonds4

About 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide

4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 42670143) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID42670143
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C16H20N4O/c1-11(2)18-16(21)13-10-17-14(19-15(13)20(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,21)
InChIKeyZJTCKGAMOMFBJX-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide (CID 42670143) is 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(-c2ccccc2)nc1N(C)C.
What is the InChIKey of 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is ZJTCKGAMOMFBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)18-16(21)13-10-17-14(19-15(13)20(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,21).
What are the key properties of 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide?
4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).