N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide

C14H21N3O3 — CID 136565765

IUPACN-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CCC(C)(C)CO2)ncn1
InChIInChI=1S/C14H21N3O3/c1-14(2)5-4-10(20-8-14)7-15-13(18)11-6-12(19-3)17-9-16-11/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyKTXZGHKIZKRBFR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.42
Rot. Bonds4

About N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide

N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide (PubChem CID 136565765) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide
PubChem CID136565765
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CCC(C)(C)CO2)ncn1
InChIInChI=1S/C14H21N3O3/c1-14(2)5-4-10(20-8-14)7-15-13(18)11-6-12(19-3)17-9-16-11/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyKTXZGHKIZKRBFR-UHFFFAOYSA-N
XLogP1.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950129
7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079617
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343918
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 91628561
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343932
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
6-(dipropylamino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343942
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
CID 91628554
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
3-methoxy-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 90573784

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide (CID 136565765) is N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)NCC2CCC(C)(C)CO2)ncn1.
What is the InChIKey of N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide?
The InChIKey is KTXZGHKIZKRBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2)5-4-10(20-8-14)7-15-13(18)11-6-12(19-3)17-9-16-11/h6,9-10H,4-5,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide?
N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 136565765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).