N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide

C19H27N5O — CID 122324495

IUPACN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide
SMILESCCNc1cc(C)nc(NCCNC(=O)C(CC)c2ccccc2)n1
InChIInChI=1S/C19H27N5O/c1-4-16(15-9-7-6-8-10-15)18(25)21-11-12-22-19-23-14(3)13-17(24-19)20-5-2/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,21,25)(H2,20,22,23,24)
InChIKeyIRELRHFATGMBFZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.94
Rot. Bonds9

About N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide (PubChem CID 122324495) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide
PubChem CID122324495
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide
SMILESCCNc1cc(C)nc(NCCNC(=O)C(CC)c2ccccc2)n1
InChIInChI=1S/C19H27N5O/c1-4-16(15-9-7-6-8-10-15)18(25)21-11-12-22-19-23-14(3)13-17(24-19)20-5-2/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,21,25)(H2,20,22,23,24)
InChIKeyIRELRHFATGMBFZ-UHFFFAOYSA-N
XLogP2.94
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
CID 122325653
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122324634
(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122324470
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 56700174
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 122324616
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
4-ethyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 70703936
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 122324645
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylbutanamide
CID 122328204
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
CID 70702932

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide (CID 122324495) is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide is CCNc1cc(C)nc(NCCNC(=O)C(CC)c2ccccc2)n1.
What is the InChIKey of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide?
The InChIKey is IRELRHFATGMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-16(15-9-7-6-8-10-15)18(25)21-11-12-22-19-23-14(3)13-17(24-19)20-5-2/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,21,25)(H2,20,22,23,24).
What are the key properties of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide?
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide has a molecular weight of 341.46 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide is sourced from PubChem (CID 122324495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).