N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine

C19H24N4O4 — CID 95801264

IUPACN,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
SMILESCOCCN(CCOC)c1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1
InChIInChI=1S/C19H24N4O4/c1-13-11-17(27-22-13)15-12-20-19(23(7-9-24-3)8-10-25-4)21-18(15)16-6-5-14(2)26-16/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJJSZMKXFVDRHHZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.11
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine

N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine (PubChem CID 95801264) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
PubChem CID95801264
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
SMILESCOCCN(CCOC)c1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1
InChIInChI=1S/C19H24N4O4/c1-13-11-17(27-22-13)15-12-20-19(23(7-9-24-3)8-10-25-4)21-18(15)16-6-5-14(2)26-16/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJJSZMKXFVDRHHZ-UHFFFAOYSA-N
XLogP3.11
TPSA86.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine (CID 95801264) is N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine is COCCN(CCOC)c1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The InChIKey is JJSZMKXFVDRHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-11-17(27-22-13)15-12-20-19(23(7-9-24-3)8-10-25-4)21-18(15)16-6-5-14(2)26-16/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 95801264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).