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

C20H25N5 — CID 10547234

IUPAC6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H25N5/c1-2-11-21-20-23-17-14-16(15-9-5-3-6-10-15)22-18(17)19(24-20)25-12-7-4-8-13-25/h3,5-6,9-10,14,22H,2,4,7-8,11-13H2,1H3,(H,21,23,24)
InChIKeyLVSCJZZDQZVNMT-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.44
Rot. Bonds5

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

6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 10547234) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID10547234
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H25N5/c1-2-11-21-20-23-17-14-16(15-9-5-3-6-10-15)22-18(17)19(24-20)25-12-7-4-8-13-25/h3,5-6,9-10,14,22H,2,4,7-8,11-13H2,1H3,(H,21,23,24)
InChIKeyLVSCJZZDQZVNMT-UHFFFAOYSA-N
XLogP4.44
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 10547234) is 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is LVSCJZZDQZVNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-2-11-21-20-23-17-14-16(15-9-5-3-6-10-15)22-18(17)19(24-20)25-12-7-4-8-13-25/h3,5-6,9-10,14,22H,2,4,7-8,11-13H2,1H3,(H,21,23,24).
What are the key properties of 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 335.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-piperidin-1-yl-N-propyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 10547234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).