6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C18H27N7 — CID 98616956

IUPAC6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1
InChIInChI=1S/C18H27N7/c1-23(2)18-9-16(21-13-22-18)19-10-15-11-20-17-5-6-24(7-8-25(15)17)12-14-3-4-14/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,19,21,22)
InChIKeyQWIZXCYZCVSIGZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.62
Rot. Bonds6

About 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 98616956) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID98616956
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1
InChIInChI=1S/C18H27N7/c1-23(2)18-9-16(21-13-22-18)19-10-15-11-20-17-5-6-24(7-8-25(15)17)12-14-3-4-14/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,19,21,22)
InChIKeyQWIZXCYZCVSIGZ-UHFFFAOYSA-N
XLogP1.62
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 98616956) is 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1.
What is the InChIKey of 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is QWIZXCYZCVSIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-23(2)18-9-16(21-13-22-18)19-10-15-11-20-17-5-6-24(7-8-25(15)17)12-14-3-4-14/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,19,21,22).
What are the key properties of 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 341.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 98616956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).