4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C10H15N3O — CID 3930641

IUPAC4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)(C)c1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O/c1-10(2,3)7-6-4-5-11-8(6)13-9(14)12-7/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNDIZPUVEKWMRBD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.04
Rot. Bonds

About 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3930641) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3930641
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)(C)c1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O/c1-10(2,3)7-6-4-5-11-8(6)13-9(14)12-7/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNDIZPUVEKWMRBD-UHFFFAOYSA-N
XLogP1.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 5104721
4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3447837
4-(5-methylthiophen-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3669164
4-(2-methylsulfanylphenyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3563795
2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
CID 137197405
4-(2-bromophenyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 4540023
4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3585379
3-tert-butyl-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3419069
2-tert-butyl-6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 176870548
4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101883
4-[(4-methoxyphenyl)methyl]-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3993026
4-(1-methylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3301323

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3930641) is 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CC(C)(C)c1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is NDIZPUVEKWMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,3)7-6-4-5-11-8(6)13-9(14)12-7/h4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3930641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).