2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C14H14ClN3O — CID 106471831

IUPAC2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccc(Cl)cc2)nc2c1COCC2
InChIInChI=1S/C14H14ClN3O/c15-10-3-1-9(2-4-10)7-13-17-12-5-6-19-8-11(12)14(16)18-13/h1-4H,5-8H2,(H2,16,17,18)
InChIKeyZDPUYNOUPCDSES-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.38
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106471831) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106471831
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccc(Cl)cc2)nc2c1COCC2
InChIInChI=1S/C14H14ClN3O/c15-10-3-1-9(2-4-10)7-13-17-12-5-6-19-8-11(12)14(16)18-13/h1-4H,5-8H2,(H2,16,17,18)
InChIKeyZDPUYNOUPCDSES-UHFFFAOYSA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
2-[(4-chlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191581
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
[2-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473449
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62192630
2-[(3-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470645

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106471831) is 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is Nc1nc(Cc2ccc(Cl)cc2)nc2c1COCC2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is ZDPUYNOUPCDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-3-1-9(2-4-10)7-13-17-12-5-6-19-8-11(12)14(16)18-13/h1-4H,5-8H2,(H2,16,17,18).
What are the key properties of 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 275.74 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106471831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).