6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

C12H13FN4O — CID 59987540

IUPAC6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(NCC3CCCO3)ncnc2cn1
InChIInChI=1S/C12H13FN4O/c13-11-4-9-10(6-14-11)16-7-17-12(9)15-5-8-2-1-3-18-8/h4,6-8H,1-3,5H2,(H,15,16,17)
InChIKeyQXCUIHUHNIYMHN-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.75
Rot. Bonds3

About 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 59987540) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID59987540
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cc2c(NCC3CCCO3)ncnc2cn1
InChIInChI=1S/C12H13FN4O/c13-11-4-9-10(6-14-11)16-7-17-12(9)15-5-8-2-1-3-18-8/h4,6-8H,1-3,5H2,(H,15,16,17)
InChIKeyQXCUIHUHNIYMHN-UHFFFAOYSA-N
XLogP1.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 72790873
4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 143003498
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 44968192
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid
CID 46916183
3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769
7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
CID 167795055
N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2952887
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 59987540) is 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is Fc1cc2c(NCC3CCCO3)ncnc2cn1.
What is the InChIKey of 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is QXCUIHUHNIYMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-11-4-9-10(6-14-11)16-7-17-12(9)15-5-8-2-1-3-18-8/h4,6-8H,1-3,5H2,(H,15,16,17).
What are the key properties of 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 248.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59987540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).