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

C14H15N3O — CID 62760281

IUPACN-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1cncnc1
InChIInChI=1S/C14H15N3O/c1-2-4-14-12(3-1)13(5-6-18-14)17-9-11-7-15-10-16-8-11/h1-4,7-8,10,13,17H,5-6,9H2
InChIKeySYOCTGHSRKGXKI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.09
Rot. Bonds3

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

N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 62760281) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID62760281
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1cncnc1
InChIInChI=1S/C14H15N3O/c1-2-4-14-12(3-1)13(5-6-18-14)17-9-11-7-15-10-16-8-11/h1-4,7-8,10,13,17H,5-6,9H2
InChIKeySYOCTGHSRKGXKI-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 66161723
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106393066
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461557
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 62760281) is N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NCc1cncnc1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SYOCTGHSRKGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-14-12(3-1)13(5-6-18-14)17-9-11-7-15-10-16-8-11/h1-4,7-8,10,13,17H,5-6,9H2.
What are the key properties of N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 241.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 62760281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).