N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C18H21N5 — CID 10617383

IUPACN-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H21N5/c1-19-18-21-15-12-14(13-8-4-2-5-9-13)20-16(15)17(22-18)23-10-6-3-7-11-23/h2,4-5,8-9,12,20H,3,6-7,10-11H2,1H3,(H,19,21,22)
InChIKeyOBXBGIVMBBAMLZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.66
Rot. Bonds3

About N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine

N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 10617383) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID10617383
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H21N5/c1-19-18-21-15-12-14(13-8-4-2-5-9-13)20-16(15)17(22-18)23-10-6-3-7-11-23/h2,4-5,8-9,12,20H,3,6-7,10-11H2,1H3,(H,19,21,22)
InChIKeyOBXBGIVMBBAMLZ-UHFFFAOYSA-N
XLogP3.66
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Lerisetron
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Mavorixafor
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4-Amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol
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2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
PF-4708671
CID 51371303

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 10617383) is N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is CNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is OBXBGIVMBBAMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-19-18-21-15-12-14(13-8-4-2-5-9-13)20-16(15)17(22-18)23-10-6-3-7-11-23/h2,4-5,8-9,12,20H,3,6-7,10-11H2,1H3,(H,19,21,22).
What are the key properties of N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 10617383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).