(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate

C14H19N5O3 — CID 54575678

IUPAC(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate
SMILESCC(C)(C)CCNC(=O)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C14H19N5O3/c1-14(2,3)5-7-15-13(21)22-10-9-16-12(18-11(10)20)19-8-4-6-17-19/h4,6,8-9H,5,7H2,1-3H3,(H,15,21)(H,16,18,20)
InChIKeyKBKFWQLUHAXDRO-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.48
Rot. Bonds4

About (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate (PubChem CID 54575678) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate.

Molecular Properties

Compound Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate
PubChem CID54575678
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate
SMILESCC(C)(C)CCNC(=O)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C14H19N5O3/c1-14(2,3)5-7-15-13(21)22-10-9-16-12(18-11(10)20)19-8-4-6-17-19/h4,6,8-9H,5,7H2,1-3H3,(H,15,21)(H,16,18,20)
InChIKeyKBKFWQLUHAXDRO-UHFFFAOYSA-N
XLogP1.48
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate?
The IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate (CID 54575678) is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate.
What is the SMILES notation for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate?
The canonical SMILES for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate is CC(C)(C)CCNC(=O)Oc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate?
The InChIKey is KBKFWQLUHAXDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-14(2,3)5-7-15-13(21)22-10-9-16-12(18-11(10)20)19-8-4-6-17-19/h4,6,8-9H,5,7H2,1-3H3,(H,15,21)(H,16,18,20).
What are the key properties of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate?
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate has a molecular weight of 305.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(3,3-dimethylbutyl)carbamate is sourced from PubChem (CID 54575678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).