N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C19H24N4O3 — CID 109343992

IUPACN-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)NCC2CCCO2)ncn1
InChIInChI=1S/C19H24N4O3/c1-13(2)26-17-8-4-3-7-15(17)23-18-10-16(21-12-22-18)19(24)20-11-14-6-5-9-25-14/h3-4,7-8,10,12-14H,5-6,9,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyHPAXOGGIVQTYRD-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.92
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109343992) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109343992
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)NCC2CCCO2)ncn1
InChIInChI=1S/C19H24N4O3/c1-13(2)26-17-8-4-3-7-15(17)23-18-10-16(21-12-22-18)19(24)20-11-14-6-5-9-25-14/h3-4,7-8,10,12-14H,5-6,9,11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyHPAXOGGIVQTYRD-UHFFFAOYSA-N
XLogP2.92
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
N-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739
N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343813
N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608
N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353448
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344009
6-(oxolan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109343791
6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343981

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109343992) is N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccccc1Nc1cc(C(=O)NCC2CCCO2)ncn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is HPAXOGGIVQTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)26-17-8-4-3-7-15(17)23-18-10-16(21-12-22-18)19(24)20-11-14-6-5-9-25-14/h3-4,7-8,10,12-14H,5-6,9,11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).