7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

C16H24N4O5 — CID 42217440

IUPAC7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCn1c(C(=O)NC[C@@H](O)CO)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C16H24N4O5/c1-4-5-6-20-12(13(23)17-8-10(22)9-21)7-11-14(20)18(2)16(25)19(3)15(11)24/h7,10,21-22H,4-6,8-9H2,1-3H3,(H,17,23)/t10-/m1/s1
InChIKeyPBNHBJFUNMKIND-SNVBAGLBSA-N
MW352.39 g/mol
LogP-1.08
Rot. Bonds7

About 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42217440) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42217440
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCn1c(C(=O)NC[C@@H](O)CO)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C16H24N4O5/c1-4-5-6-20-12(13(23)17-8-10(22)9-21)7-11-14(20)18(2)16(25)19(3)15(11)24/h7,10,21-22H,4-6,8-9H2,1-3H3,(H,17,23)/t10-/m1/s1
InChIKeyPBNHBJFUNMKIND-SNVBAGLBSA-N
XLogP-1.08
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42217440) is 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is CCCCn1c(C(=O)NC[C@@H](O)CO)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PBNHBJFUNMKIND-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-4-5-6-20-12(13(23)17-8-10(22)9-21)7-11-14(20)18(2)16(25)19(3)15(11)24/h7,10,21-22H,4-6,8-9H2,1-3H3,(H,17,23)/t10-/m1/s1.
What are the key properties of 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 352.39 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42217440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).