N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide

C18H25N5O3 — CID 70702932

IUPACN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
SMILESCCNc1cc(C)nc(NCCNC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C18H25N5O3/c1-5-19-16-10-12(2)22-18(23-16)21-9-8-20-17(24)13-6-7-14(25-3)15(11-13)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,24)(H2,19,21,22,23)
InChIKeyLBUZIVZBCDBJNR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.08
Rot. Bonds9

About N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide (PubChem CID 70702932) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
PubChem CID70702932
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
SMILESCCNc1cc(C)nc(NCCNC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C18H25N5O3/c1-5-19-16-10-12(2)22-18(23-16)21-9-8-20-17(24)13-6-7-14(25-3)15(11-13)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,24)(H2,19,21,22,23)
InChIKeyLBUZIVZBCDBJNR-UHFFFAOYSA-N
XLogP2.08
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 122324645
4-ethyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 70703936
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 122324616
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-methoxybenzamide
CID 70702840
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122324631
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122324641
4-bromo-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325605
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122324795
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide (CID 70702932) is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide is CCNc1cc(C)nc(NCCNC(=O)c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is LBUZIVZBCDBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-5-19-16-10-12(2)22-18(23-16)21-9-8-20-17(24)13-6-7-14(25-3)15(11-13)26-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,24)(H2,19,21,22,23).
What are the key properties of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide?
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 359.43 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 70702932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).