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

C18H26N6 — CID 97390250

IUPACN-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCN(Cc1cncnc1)Cc1cnc2n1CCN(CC1CC1)CC2
InChIInChI=1S/C18H26N6/c1-22(11-16-8-19-14-20-9-16)13-17-10-21-18-4-5-23(6-7-24(17)18)12-15-2-3-15/h8-10,14-15H,2-7,11-13H2,1H3
InChIKeyOVFPZJNHQZFISR-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.57
Rot. Bonds6

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

N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 97390250) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound NameN-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID97390250
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCN(Cc1cncnc1)Cc1cnc2n1CCN(CC1CC1)CC2
InChIInChI=1S/C18H26N6/c1-22(11-16-8-19-14-20-9-16)13-17-10-21-18-4-5-23(6-7-24(17)18)12-15-2-3-15/h8-10,14-15H,2-7,11-13H2,1H3
InChIKeyOVFPZJNHQZFISR-UHFFFAOYSA-N
XLogP1.57
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine (CID 97390250) is N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine is CN(Cc1cncnc1)Cc1cnc2n1CCN(CC1CC1)CC2.
What is the InChIKey of N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is OVFPZJNHQZFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-22(11-16-8-19-14-20-9-16)13-17-10-21-18-4-5-23(6-7-24(17)18)12-15-2-3-15/h8-10,14-15H,2-7,11-13H2,1H3.
What are the key properties of N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine?
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 326.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 97390250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).