5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C20H21N5 — CID 144944099

IUPAC5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILES[H]/N=C(\c1ccccc1)c1cnc(Nc2ccccc2)nc1NC(C)C
InChIInChI=1S/C20H21N5/c1-14(2)23-19-17(18(21)15-9-5-3-6-10-15)13-22-20(25-19)24-16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H2,22,23,24,25)/b21-18+
InChIKeyZERYUPAGQGLDIP-DYTRJAOYSA-N
MW331.42 g/mol
LogP4.46
Rot. Bonds6

About 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 144944099) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID144944099
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILES[H]/N=C(\c1ccccc1)c1cnc(Nc2ccccc2)nc1NC(C)C
InChIInChI=1S/C20H21N5/c1-14(2)23-19-17(18(21)15-9-5-3-6-10-15)13-22-20(25-19)24-16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H2,22,23,24,25)/b21-18+
InChIKeyZERYUPAGQGLDIP-DYTRJAOYSA-N
XLogP4.46
TPSA73.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane
CID 143150930
5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 144944091
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
2-[3-(methylamino)anilino]-4-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 70832990
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067
5-bromo-4-N-phenyl-2-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]pyrimidine-2,4-diamine
CID 10275057
methyl 4-[[4-anilino-5-(methylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 143285064
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392

Frequently Asked Questions

What is the IUPAC name of 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 144944099) is 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is [H]/N=C(\c1ccccc1)c1cnc(Nc2ccccc2)nc1NC(C)C.
What is the InChIKey of 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is ZERYUPAGQGLDIP-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14(2)23-19-17(18(21)15-9-5-3-6-10-15)13-22-20(25-19)24-16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H2,22,23,24,25)/b21-18+.
What are the key properties of 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 331.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 144944099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).