2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide

C20H22N4O2 — CID 74250280

IUPAC2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(C)c2ccc3cc(OC)ccc3c2)cn1
InChIInChI=1S/C20H22N4O2/c1-4-21-20-22-11-17(12-23-20)19(25)24-13(2)14-5-6-16-10-18(26-3)8-7-15(16)9-14/h5-13H,4H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyQSKVMSRGKYBDPX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds6

About 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 74250280) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID74250280
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(C)c2ccc3cc(OC)ccc3c2)cn1
InChIInChI=1S/C20H22N4O2/c1-4-21-20-22-11-17(12-23-20)19(25)24-13(2)14-5-6-16-10-18(26-3)8-7-15(16)9-14/h5-13H,4H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyQSKVMSRGKYBDPX-UHFFFAOYSA-N
XLogP3.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide (CID 74250280) is 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC(C)c2ccc3cc(OC)ccc3c2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is QSKVMSRGKYBDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-21-20-22-11-17(12-23-20)19(25)24-13(2)14-5-6-16-10-18(26-3)8-7-15(16)9-14/h5-13H,4H2,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74250280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).