3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine

C14H15N3O — CID 114745377

IUPAC3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine
SMILESNC(c1ccncn1)c1cccc2c1OCCC2
InChIInChI=1S/C14H15N3O/c15-13(12-6-7-16-9-17-12)11-5-1-3-10-4-2-8-18-14(10)11/h1,3,5-7,9,13H,2,4,8,15H2
InChIKeyBTXVNAWRQSBUND-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.85
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine

3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine (PubChem CID 114745377) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine
PubChem CID114745377
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine
SMILESNC(c1ccncn1)c1cccc2c1OCCC2
InChIInChI=1S/C14H15N3O/c15-13(12-6-7-16-9-17-12)11-5-1-3-10-4-2-8-18-14(10)11/h1,3,5-7,9,13H,2,4,8,15H2
InChIKeyBTXVNAWRQSBUND-UHFFFAOYSA-N
XLogP1.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984
3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886
3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
CID 114745898
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745822
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
[1-(3,4-dihydro-2H-chromen-8-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212546
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine (CID 114745377) is 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine is NC(c1ccncn1)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine?
The InChIKey is BTXVNAWRQSBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-13(12-6-7-16-9-17-12)11-5-1-3-10-4-2-8-18-14(10)11/h1,3,5-7,9,13H,2,4,8,15H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine?
3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine has a molecular weight of 241.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine is sourced from PubChem (CID 114745377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).