2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine

C19H29N7 — CID 56886207

IUPAC2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
SMILESCN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCC4)n1)CCNCC2
InChIInChI=1S/C19H29N7/c1-25(2)19-21-15-9-11-20-10-8-14(15)18(22-19)26(3)12-17-13-6-4-5-7-16(13)23-24-17/h20H,4-12H2,1-3H3,(H,23,24)
InChIKeyNWHQGJCXGRSKRR-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.47
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine (PubChem CID 56886207) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
PubChem CID56886207
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
SMILESCN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCC4)n1)CCNCC2
InChIInChI=1S/C19H29N7/c1-25(2)19-21-15-9-11-20-10-8-14(15)18(22-19)26(3)12-17-13-6-4-5-7-16(13)23-24-17/h20H,4-12H2,1-3H3,(H,23,24)
InChIKeyNWHQGJCXGRSKRR-UHFFFAOYSA-N
XLogP1.47
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine (CID 56886207) is 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine is CN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCC4)n1)CCNCC2.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
The InChIKey is NWHQGJCXGRSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-25(2)19-21-15-9-11-20-10-8-14(15)18(22-19)26(3)12-17-13-6-4-5-7-16(13)23-24-17/h20H,4-12H2,1-3H3,(H,23,24).
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine is sourced from PubChem (CID 56886207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).