11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione

C19H24N6O2 — CID 167283236

IUPAC11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NCCCC1(CC2)CC1
InChIInChI=1S/C19H24N6O2/c1-12-9-13(24-15-10-14(20)22-11-23-15)18(27)25-8-6-19(4-5-19)3-2-7-21-17(26)16(12)25/h9-11H,2-8H2,1H3,(H,21,26)(H3,20,22,23,24)
InChIKeyAMHGHCVEEWKOID-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.97
Rot. Bonds2

About 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione

11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione (PubChem CID 167283236) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione.

Molecular Properties

Compound Name11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione
PubChem CID167283236
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NCCCC1(CC2)CC1
InChIInChI=1S/C19H24N6O2/c1-12-9-13(24-15-10-14(20)22-11-23-15)18(27)25-8-6-19(4-5-19)3-2-7-21-17(26)16(12)25/h9-11H,2-8H2,1H3,(H,21,26)(H3,20,22,23,24)
InChIKeyAMHGHCVEEWKOID-UHFFFAOYSA-N
XLogP1.97
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione?
The IUPAC name of 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione (CID 167283236) is 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione.
What is the SMILES notation for 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione?
The canonical SMILES for 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NCCCC1(CC2)CC1.
What is the InChIKey of 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione?
The InChIKey is AMHGHCVEEWKOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-9-13(24-15-10-14(20)22-11-23-15)18(27)25-8-6-19(4-5-19)3-2-7-21-17(26)16(12)25/h9-11H,2-8H2,1H3,(H,21,26)(H3,20,22,23,24).
What are the key properties of 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione?
11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione has a molecular weight of 368.44 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione is sourced from PubChem (CID 167283236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).