5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine

C15H12FN3 — CID 112703157

IUPAC5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
SMILESFc1cnc(NCc2cccc3ccccc23)nc1
InChIInChI=1S/C15H12FN3/c16-13-9-18-15(19-10-13)17-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,17,18,19)
InChIKeySOMXOWAXPWSSRS-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.38
Rot. Bonds3

About 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine

5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine (PubChem CID 112703157) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
PubChem CID112703157
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
SMILESFc1cnc(NCc2cccc3ccccc23)nc1
InChIInChI=1S/C15H12FN3/c16-13-9-18-15(19-10-13)17-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,17,18,19)
InChIKeySOMXOWAXPWSSRS-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130243841
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3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
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CID 63453833
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
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1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
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N-methyl-1-naphthalen-1-ylmethanamine
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3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine (CID 112703157) is 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine is Fc1cnc(NCc2cccc3ccccc23)nc1.
What is the InChIKey of 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
The InChIKey is SOMXOWAXPWSSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-13-9-18-15(19-10-13)17-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,17,18,19).
What are the key properties of 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine has a molecular weight of 253.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112703157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).