N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H20FN5O — CID 91961099

IUPACN-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccccc3F)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C18H20FN5O/c1-12-10-14-16(20-11-13-4-2-3-5-15(13)19)22-18(23-17(14)21-12)24-6-8-25-9-7-24/h2-5,10H,6-9,11H2,1H3,(H2,20,21,22,23)
InChIKeyLUKZCOKNNKRAQF-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.85
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91961099) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91961099
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccccc3F)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C18H20FN5O/c1-12-10-14-16(20-11-13-4-2-3-5-15(13)19)22-18(23-17(14)21-12)24-6-8-25-9-7-24/h2-5,10H,6-9,11H2,1H3,(H2,20,21,22,23)
InChIKeyLUKZCOKNNKRAQF-UHFFFAOYSA-N
XLogP2.85
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 91961099) is N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3ccccc3F)nc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LUKZCOKNNKRAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-10-14-16(20-11-13-4-2-3-5-15(13)19)22-18(23-17(14)21-12)24-6-8-25-9-7-24/h2-5,10H,6-9,11H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91961099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).