2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine

C15H22N4 — CID 10589936

IUPAC2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
InChIInChI=1S/C15H22N4/c1-3-7-12-10-13-14(18-12)15(17-11(2)16-13)19-8-5-4-6-9-19/h10,18H,3-9H2,1-2H3
InChIKeyHDLYRCDPPORNOA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10589936) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10589936
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
InChIInChI=1S/C15H22N4/c1-3-7-12-10-13-14(18-12)15(17-11(2)16-13)19-8-5-4-6-9-19/h10,18H,3-9H2,1-2H3
InChIKeyHDLYRCDPPORNOA-UHFFFAOYSA-N
XLogP3.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine (CID 10589936) is 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine is CCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is HDLYRCDPPORNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-7-12-10-13-14(18-12)15(17-11(2)16-13)19-8-5-4-6-9-19/h10,18H,3-9H2,1-2H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 258.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10589936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).