4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C12H18N4O — CID 3664646

IUPAC4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCN1CCC(c2[nH]c(=O)nc3c2CCN3)CC1
InChIInChI=1S/C12H18N4O/c1-16-6-3-8(4-7-16)10-9-2-5-13-11(9)15-12(17)14-10/h8H,2-7H2,1H3,(H2,13,14,15,17)
InChIKeyTXSONOHQCZHASV-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.55
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3664646) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3664646
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCN1CCC(c2[nH]c(=O)nc3c2CCN3)CC1
InChIInChI=1S/C12H18N4O/c1-16-6-3-8(4-7-16)10-9-2-5-13-11(9)15-12(17)14-10/h8H,2-7H2,1H3,(H2,13,14,15,17)
InChIKeyTXSONOHQCZHASV-UHFFFAOYSA-N
XLogP0.55
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3279813
4-(1-Methylpiperidin-3-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3304687
4-Pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3432633
4-(Piperidin-1-ylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3447840
4-(1-Ethylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3504387
4-(1-Ethylpiperidin-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3504390
4-(2-Methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3610643
4-(1-Ethylpiperidin-4-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3692683
4-Propyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3904183
4-Propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3940913
4-(1-Methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3964110
4-(1-Ethylpiperidin-3-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3972999

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3664646) is 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CN1CCC(c2[nH]c(=O)nc3c2CCN3)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is TXSONOHQCZHASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-6-3-8(4-7-16)10-9-2-5-13-11(9)15-12(17)14-10/h8H,2-7H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3664646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).