(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one

C21H34N6O — CID 67016567

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(N[C@@H](C)C3CCNCC3)nc2N1C1CCCC1
InChIInChI=1S/C21H34N6O/c1-4-17-20(28)26(3)18-13-23-21(24-14(2)15-9-11-22-12-10-15)25-19(18)27(17)16-7-5-6-8-16/h13-17,22H,4-12H2,1-3H3,(H,23,24,25)/t14-,17+/m0/s1
InChIKeyMHEMHVOZGNOTJD-WMLDXEAASA-N
MW386.54 g/mol
LogP2.78
Rot. Bonds5

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one (PubChem CID 67016567) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one
PubChem CID67016567
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(N[C@@H](C)C3CCNCC3)nc2N1C1CCCC1
InChIInChI=1S/C21H34N6O/c1-4-17-20(28)26(3)18-13-23-21(24-14(2)15-9-11-22-12-10-15)25-19(18)27(17)16-7-5-6-8-16/h13-17,22H,4-12H2,1-3H3,(H,23,24,25)/t14-,17+/m0/s1
InChIKeyMHEMHVOZGNOTJD-WMLDXEAASA-N
XLogP2.78
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one (CID 67016567) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(N[C@@H](C)C3CCNCC3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one?
The InChIKey is MHEMHVOZGNOTJD-WMLDXEAASA-N. The full InChI is InChI=1S/C21H34N6O/c1-4-17-20(28)26(3)18-13-23-21(24-14(2)15-9-11-22-12-10-15)25-19(18)27(17)16-7-5-6-8-16/h13-17,22H,4-12H2,1-3H3,(H,23,24,25)/t14-,17+/m0/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one has a molecular weight of 386.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one is sourced from PubChem (CID 67016567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).