N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H23N5O — CID 154858031

IUPACN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(CN2CCOCC2)Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C19H23N5O/c1-14-2-4-15(5-3-14)17(12-24-8-10-25-11-9-24)23-19-16-6-7-20-18(16)21-13-22-19/h2-7,13,17H,8-12H2,1H3,(H2,20,21,22,23)
InChIKeyPFMDFGYZSQKYOW-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 154858031) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID154858031
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(CN2CCOCC2)Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C19H23N5O/c1-14-2-4-15(5-3-14)17(12-24-8-10-25-11-9-24)23-19-16-6-7-20-18(16)21-13-22-19/h2-7,13,17H,8-12H2,1H3,(H2,20,21,22,23)
InChIKeyPFMDFGYZSQKYOW-UHFFFAOYSA-N
XLogP2.75
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 154858031) is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(C(CN2CCOCC2)Nc2ncnc3[nH]ccc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PFMDFGYZSQKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-2-4-15(5-3-14)17(12-24-8-10-25-11-9-24)23-19-16-6-7-20-18(16)21-13-22-19/h2-7,13,17H,8-12H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154858031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).