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

C17H24N6O — CID 97390241

IUPACN-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1
InChIInChI=1S/C17H24N6O/c1-24-17-8-15(20-12-21-17)18-9-14-10-19-16-4-5-22(6-7-23(14)16)11-13-2-3-13/h8,10,12-13H,2-7,9,11H2,1H3,(H,18,20,21)
InChIKeyGZACHMVPGFNISL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.56
Rot. Bonds6

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

N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine (PubChem CID 97390241) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine
PubChem CID97390241
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1
InChIInChI=1S/C17H24N6O/c1-24-17-8-15(20-12-21-17)18-9-14-10-19-16-4-5-22(6-7-23(14)16)11-13-2-3-13/h8,10,12-13H,2-7,9,11H2,1H3,(H,18,20,21)
InChIKeyGZACHMVPGFNISL-UHFFFAOYSA-N
XLogP1.56
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine (CID 97390241) is N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1.
What is the InChIKey of N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is GZACHMVPGFNISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-24-17-8-15(20-12-21-17)18-9-14-10-19-16-4-5-22(6-7-23(14)16)11-13-2-3-13/h8,10,12-13H,2-7,9,11H2,1H3,(H,18,20,21).
What are the key properties of N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine?
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 97390241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).