1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one

C18H26N4O3 — CID 118739533

IUPAC1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C18H26N4O3/c1-24-7-4-15(23)22-6-5-18(11-22)12-25-10-14-9-20-17(21-16(14)18)19-8-13-2-3-13/h9,13H,2-8,10-12H2,1H3,(H,19,20,21)
InChIKeyBNIAJWVZTYATEZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.34
Rot. Bonds6

About 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one

1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one (PubChem CID 118739533) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one
PubChem CID118739533
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C18H26N4O3/c1-24-7-4-15(23)22-6-5-18(11-22)12-25-10-14-9-20-17(21-16(14)18)19-8-13-2-3-13/h9,13H,2-8,10-12H2,1H3,(H,19,20,21)
InChIKeyBNIAJWVZTYATEZ-UHFFFAOYSA-N
XLogP1.34
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one (CID 118739533) is 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC2(COCc3cnc(NCC4CC4)nc32)C1.
What is the InChIKey of 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one?
The InChIKey is BNIAJWVZTYATEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-24-7-4-15(23)22-6-5-18(11-22)12-25-10-14-9-20-17(21-16(14)18)19-8-13-2-3-13/h9,13H,2-8,10-12H2,1H3,(H,19,20,21).
What are the key properties of 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one?
1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one has a molecular weight of 346.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 118739533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).