6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine

C19H20ClN3O — CID 135380074

IUPAC6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
SMILESCCCOc1ccc2ccccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C19H20ClN3O/c1-2-11-24-17-8-7-14-5-3-4-6-15(14)16(17)9-10-21-19-12-18(20)22-13-23-19/h3-8,12-13H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyCFBHZOJHUKKDBE-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.73
Rot. Bonds7

About 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 135380074) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
PubChem CID135380074
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
SMILESCCCOc1ccc2ccccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C19H20ClN3O/c1-2-11-24-17-8-7-14-5-3-4-6-15(14)16(17)9-10-21-19-12-18(20)22-13-23-19/h3-8,12-13H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyCFBHZOJHUKKDBE-UHFFFAOYSA-N
XLogP4.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380668
6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine
CID 135380086
6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
CID 135380861
1-ethyl-2-propoxynaphthalene
CID 129259410
6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine
CID 135380239
2-[2-ethoxy-4-[6-[2-(2-methoxynaphthalen-1-yl)ethylamino]pyrimidin-4-yl]phenoxy]acetic acid
CID 156759103
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
3-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]-1-fluoronaphthalen-2-ol
CID 135382034
2-ethoxy-N'-hydroxy-4-[6-[2-(2-methoxynaphthalen-1-yl)ethylamino]pyrimidin-4-yl]benzenecarboximidamide
CID 175777517
2-[3-ethoxy-5-[6-[2-(2-methoxynaphthalen-1-yl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]acetic acid
CID 135380472
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
6-chloro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine (CID 135380074) is 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine is CCCOc1ccc2ccccc2c1CCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is CFBHZOJHUKKDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-2-11-24-17-8-7-14-5-3-4-6-15(14)16(17)9-10-21-19-12-18(20)22-13-23-19/h3-8,12-13H,2,9-11H2,1H3,(H,21,22,23).
What are the key properties of 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 341.84 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135380074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).