N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide

C15H15N5O — CID 140883883

IUPACN-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide
SMILES[C-]#[N+]c1ccc(NC(=O)c2cncnc2C)c(NCC)c1
InChIInChI=1S/C15H15N5O/c1-4-18-14-7-11(16-3)5-6-13(14)20-15(21)12-8-17-9-19-10(12)2/h5-9,18H,4H2,1-2H3,(H,20,21)
InChIKeyMVTQDPRIADEANP-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide

N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 140883883) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide
PubChem CID140883883
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide
SMILES[C-]#[N+]c1ccc(NC(=O)c2cncnc2C)c(NCC)c1
InChIInChI=1S/C15H15N5O/c1-4-18-14-7-11(16-3)5-6-13(14)20-15(21)12-8-17-9-19-10(12)2/h5-9,18H,4H2,1-2H3,(H,20,21)
InChIKeyMVTQDPRIADEANP-UHFFFAOYSA-N
XLogP3.02
TPSA71.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-cyano-2-(ethylamino)phenyl]-4-(difluoromethyl)pyrimidine-5-carboxamide
CID 135185880
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
CID 131912526
N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110863958
2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107589970
methyl 4-chloro-3-[(4-methylpyrimidine-5-carbonyl)amino]benzoate
CID 110861800
N-(2,6-dimethyl-3-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245038
N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride
CID 119507049
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
CID 131904571
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
N-ethyl-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857874
N-(cyanomethyl)-4-methylpyrimidine-5-carboxamide
CID 130662590
4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide
CID 130718969

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide (CID 140883883) is N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide is [C-]#[N+]c1ccc(NC(=O)c2cncnc2C)c(NCC)c1.
What is the InChIKey of N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is MVTQDPRIADEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-4-18-14-7-11(16-3)5-6-13(14)20-15(21)12-8-17-9-19-10(12)2/h5-9,18H,4H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide?
N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 140883883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).