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

C17H19N3O — CID 106472747

IUPAC2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cccc(C3CC3)c2)nc2c1COCC2
InChIInChI=1S/C17H19N3O/c1-18-17-14-10-21-8-7-15(14)19-16(20-17)13-4-2-3-12(9-13)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3,(H,18,19,20)
InChIKeyHLGDPYPQERYXHE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.14
Rot. Bonds3

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

2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472747) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472747
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cccc(C3CC3)c2)nc2c1COCC2
InChIInChI=1S/C17H19N3O/c1-18-17-14-10-21-8-7-15(14)19-16(20-17)13-4-2-3-12(9-13)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3,(H,18,19,20)
InChIKeyHLGDPYPQERYXHE-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472247
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472790
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
2-[4-(difluoromethyl)phenyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472817
N-methyl-2-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472271
2-(3-chlorophenyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472544
2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79979959
[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473686
N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472106
2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472822
N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472261
2-imidazo[1,2-a]pyridin-2-yl-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472796

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472747) is 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(-c2cccc(C3CC3)c2)nc2c1COCC2.
What is the InChIKey of 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is HLGDPYPQERYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-17-14-10-21-8-7-15(14)19-16(20-17)13-4-2-3-12(9-13)11-5-6-11/h2-4,9,11H,5-8,10H2,1H3,(H,18,19,20).
What are the key properties of 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).