1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

C16H26N4O2 — CID 118739160

IUPAC1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCOCCN1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C16H26N4O2/c1-12-13-9-22-11-16(5-6-20(10-16)7-8-21-4)14(13)18-15(17-12)19(2)3/h5-11H2,1-4H3
InChIKeyBVPNJJZQRMTIBI-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.97
Rot. Bonds4

About 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 118739160) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound Name1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID118739160
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESCOCCN1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C16H26N4O2/c1-12-13-9-22-11-16(5-6-20(10-16)7-8-21-4)14(13)18-15(17-12)19(2)3/h5-11H2,1-4H3
InChIKeyBVPNJJZQRMTIBI-UHFFFAOYSA-N
XLogP0.97
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(2-Methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118745394
1'-Ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739154
4-Methyl-1'-(2-methylpropyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739159
1-[2-(Dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
CID 118739304
N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide
CID 118739306
2-(dimethylamino)-4-methyl-N-(2-methylpropyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 118739307
Cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone
CID 118739312
1'-ethyl-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118739315
1'-(Cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739572
1-[2-(Dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one
CID 118739700
2-(dimethylamino)-4-methyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 118739705
N-(cyclopropylmethyl)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118740991

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 118739160) is 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is COCCN1CCC2(COCc3c(C)nc(N(C)C)nc32)C1.
What is the InChIKey of 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is BVPNJJZQRMTIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-13-9-22-11-16(5-6-20(10-16)7-8-21-4)14(13)18-15(17-12)19(2)3/h5-11H2,1-4H3.
What are the key properties of 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 306.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)-N,N,4-trimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 118739160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).