N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide

C16H24N6O2 — CID 3078643

IUPACN,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C16H24N6O2/c1-4-20(5-2)16(24)22-8-6-21(7-9-22)15-17-11-12-10-13(23)19(3)14(12)18-15/h11H,4-10H2,1-3H3
InChIKeyLPMXXPGJAYATRD-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.58
Rot. Bonds3

About N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide

N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide (PubChem CID 3078643) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide
PubChem CID3078643
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C16H24N6O2/c1-4-20(5-2)16(24)22-8-6-21(7-9-22)15-17-11-12-10-13(23)19(3)14(12)18-15/h11H,4-10H2,1-3H3
InChIKeyLPMXXPGJAYATRD-UHFFFAOYSA-N
XLogP0.58
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide (CID 3078643) is N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.
What is the InChIKey of N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide?
The InChIKey is LPMXXPGJAYATRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-20(5-2)16(24)22-8-6-21(7-9-22)15-17-11-12-10-13(23)19(3)14(12)18-15/h11H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide?
N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 3078643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).