2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide

C20H29N5O2 — CID 134067488

IUPAC2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCN(CC1CCNN1)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H29N5O2/c1-25(11-15-2-3-22-24-15)18(27)16-10-21-19(23-17(16)26)20-7-12-4-13(8-20)6-14(5-12)9-20/h10,12-15,22,24H,2-9,11H2,1H3,(H,21,23,26)
InChIKeyZXSVYFFBCCEQCV-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.18
Rot. Bonds4

About 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 134067488) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID134067488
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCN(CC1CCNN1)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H29N5O2/c1-25(11-15-2-3-22-24-15)18(27)16-10-21-19(23-17(16)26)20-7-12-4-13(8-20)6-14(5-12)9-20/h10,12-15,22,24H,2-9,11H2,1H3,(H,21,23,26)
InChIKeyZXSVYFFBCCEQCV-UHFFFAOYSA-N
XLogP1.18
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 134067488) is 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is CN(CC1CCNN1)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is ZXSVYFFBCCEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-25(11-15-2-3-22-24-15)18(27)16-10-21-19(23-17(16)26)20-7-12-4-13(8-20)6-14(5-12)9-20/h10,12-15,22,24H,2-9,11H2,1H3,(H,21,23,26).
What are the key properties of 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 134067488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).