3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one

C14H22N4O — CID 154563437

IUPAC3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCC(C)N(CCn1cnc2cc[nH]c2c1=O)C(C)C
InChIInChI=1S/C14H22N4O/c1-10(2)18(11(3)4)8-7-17-9-16-12-5-6-15-13(12)14(17)19/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyULXBKPFNXPQJII-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.84
Rot. Bonds5

About 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one

3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 154563437) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID154563437
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCC(C)N(CCn1cnc2cc[nH]c2c1=O)C(C)C
InChIInChI=1S/C14H22N4O/c1-10(2)18(11(3)4)8-7-17-9-16-12-5-6-15-13(12)14(17)19/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyULXBKPFNXPQJII-UHFFFAOYSA-N
XLogP1.84
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 67133301
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154569316
3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154566816
3-[2-[di(propan-2-yl)amino]ethyl]benzimidazole-5-carboxylic acid
CID 82770270
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 122445058
1-[2-[di(propan-2-yl)amino]ethyl]pyrrole-2-carboxylic acid
CID 43477084
2-chloro-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138958438
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752
5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 66311093
3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
CID 106731636
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 154563437) is 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one is CC(C)N(CCn1cnc2cc[nH]c2c1=O)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ULXBKPFNXPQJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)18(11(3)4)8-7-17-9-16-12-5-6-15-13(12)14(17)19/h5-6,9-11,15H,7-8H2,1-4H3.
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 262.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 154563437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).