2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C20H24N4O — CID 68968168

IUPAC2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)N1Cc2cnc(N(Cc3ccccc3)CC3CC3)nc2C1=O
InChIInChI=1S/C20H24N4O/c1-14(2)24-13-17-10-21-20(22-18(17)19(24)25)23(12-16-8-9-16)11-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3
InChIKeyPSVKBQFVQOCLOX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.26
Rot. Bonds6

About 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 68968168) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID68968168
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)N1Cc2cnc(N(Cc3ccccc3)CC3CC3)nc2C1=O
InChIInChI=1S/C20H24N4O/c1-14(2)24-13-17-10-21-20(22-18(17)19(24)25)23(12-16-8-9-16)11-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3
InChIKeyPSVKBQFVQOCLOX-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 68968168) is 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is CC(C)N1Cc2cnc(N(Cc3ccccc3)CC3CC3)nc2C1=O.
What is the InChIKey of 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is PSVKBQFVQOCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(2)24-13-17-10-21-20(22-18(17)19(24)25)23(12-16-8-9-16)11-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3.
What are the key properties of 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 336.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 68968168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).