2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine

C19H22N4 — CID 54543989

IUPAC2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2[nH]c(-c3ccccc3)c(C)c2n1
InChIInChI=1S/C19H22N4/c1-12-16(14-6-4-3-5-7-14)23-19-17(12)21-13(2)22-18(19)15-8-10-20-11-9-15/h3-7,15,20,23H,8-11H2,1-2H3
InChIKeyFOWLGYSMPKDVFB-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.71
Rot. Bonds2

About 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine

2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 54543989) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID54543989
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2[nH]c(-c3ccccc3)c(C)c2n1
InChIInChI=1S/C19H22N4/c1-12-16(14-6-4-3-5-7-14)23-19-17(12)21-13(2)22-18(19)15-8-10-20-11-9-15/h3-7,15,20,23H,8-11H2,1-2H3
InChIKeyFOWLGYSMPKDVFB-UHFFFAOYSA-N
XLogP3.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-4-piperidin-4-yl-1,3-oxazole
CID 115044754
4-(4,5-diphenyl-1H-imidazol-2-yl)piperidine
CID 177339626
3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine
CID 82383284
5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
CID 118759817
1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
CID 96599519
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
methanamine;4-phenylpiperidine
CID 143444696
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
4-hydroxy-5-phenyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 65431755
acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 144611087

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 54543989) is 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(C2CCNCC2)c2[nH]c(-c3ccccc3)c(C)c2n1.
What is the InChIKey of 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is FOWLGYSMPKDVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-12-16(14-6-4-3-5-7-14)23-19-17(12)21-13(2)22-18(19)15-8-10-20-11-9-15/h3-7,15,20,23H,8-11H2,1-2H3.
What are the key properties of 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine?
2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 54543989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).