15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one

C19H15N7O3 — CID 169448181

IUPAC15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
SMILESNc1nc(N)c(C2c3ccc4ccccc4c3Oc3nc(N)[nH]c(=O)c32)c(=O)[nH]1
InChIInChI=1S/C19H15N7O3/c20-14-11(15(27)24-18(21)23-14)10-9-6-5-7-3-1-2-4-8(7)13(9)29-17-12(10)16(28)25-19(22)26-17/h1-6,10H,(H3,22,25,26,28)(H5,20,21,23,24,27)
InChIKeyMLEKCQMASDYMGI-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.04
Rot. Bonds1

About 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one

15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one (PubChem CID 169448181) has the molecular formula C19H15N7O3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one.

Molecular Properties

Compound Name15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
PubChem CID169448181
Molecular FormulaC19H15N7O3
Molecular Weight389.38 g/mol
Exact Mass389.12
IUPAC Name15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
SMILESNc1nc(N)c(C2c3ccc4ccccc4c3Oc3nc(N)[nH]c(=O)c32)c(=O)[nH]1
InChIInChI=1S/C19H15N7O3/c20-14-11(15(27)24-18(21)23-14)10-9-6-5-7-3-1-2-4-8(7)13(9)29-17-12(10)16(28)25-19(22)26-17/h1-6,10H,(H3,22,25,26,28)(H5,20,21,23,24,27)
InChIKeyMLEKCQMASDYMGI-UHFFFAOYSA-N
XLogP1.04
TPSA178.79 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The IUPAC name of 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one (CID 169448181) is 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one.
What is the SMILES notation for 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The canonical SMILES for 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one is Nc1nc(N)c(C2c3ccc4ccccc4c3Oc3nc(N)[nH]c(=O)c32)c(=O)[nH]1.
What is the InChIKey of 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The InChIKey is MLEKCQMASDYMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O3/c20-14-11(15(27)24-18(21)23-14)10-9-6-5-7-3-1-2-4-8(7)13(9)29-17-12(10)16(28)25-19(22)26-17/h1-6,10H,(H3,22,25,26,28)(H5,20,21,23,24,27).
What are the key properties of 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one has a molecular weight of 389.38 g/mol, XLogP of 1.04, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-11-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one is sourced from PubChem (CID 169448181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).