(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C14H14FN3O — CID 124696908

IUPAC(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc2c(c1)[C@H](NCc1cncnc1)CCO2
InChIInChI=1S/C14H14FN3O/c15-11-1-2-14-12(5-11)13(3-4-19-14)18-8-10-6-16-9-17-7-10/h1-2,5-7,9,13,18H,3-4,8H2/t13-/m1/s1
InChIKeyBJDDKIMQNSXXCC-CYBMUJFWSA-N
MW259.28 g/mol
LogP2.23
Rot. Bonds3

About (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 124696908) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID124696908
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc2c(c1)[C@H](NCc1cncnc1)CCO2
InChIInChI=1S/C14H14FN3O/c15-11-1-2-14-12(5-11)13(3-4-19-14)18-8-10-6-16-9-17-7-10/h1-2,5-7,9,13,18H,3-4,8H2/t13-/m1/s1
InChIKeyBJDDKIMQNSXXCC-CYBMUJFWSA-N
XLogP2.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 99828366
N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 138032353
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
4-[[[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]benzonitrile
CID 95582598
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
(5R)-7-fluoro-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97074678
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 124696908) is (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Fc1ccc2c(c1)[C@H](NCc1cncnc1)CCO2.
What is the InChIKey of (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BJDDKIMQNSXXCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-1-2-14-12(5-11)13(3-4-19-14)18-8-10-6-16-9-17-7-10/h1-2,5-7,9,13,18H,3-4,8H2/t13-/m1/s1.
What are the key properties of (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 124696908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).