(6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C16H21N5O — CID 97483762

IUPAC(6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1cnc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)nc1
InChIInChI=1S/C16H21N5O/c1-4-18-16(19-5-1)20-7-14(11-22-10-13-2-3-13)8-21-12-17-6-15(21)9-20/h1,4-6,12-14H,2-3,7-11H2/t14-/m0/s1
InChIKeyDBMVIKIXNUSQLM-AWEZNQCLSA-N
MW299.38 g/mol
LogP1.74
Rot. Bonds5

About (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

(6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97483762) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97483762
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1cnc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)nc1
InChIInChI=1S/C16H21N5O/c1-4-18-16(19-5-1)20-7-14(11-22-10-13-2-3-13)8-21-12-17-6-15(21)9-20/h1,4-6,12-14H,2-3,7-11H2/t14-/m0/s1
InChIKeyDBMVIKIXNUSQLM-AWEZNQCLSA-N
XLogP1.74
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Cyclopropylmethoxymethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97519075
6-(Cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155850763
N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine
CID 97466974
N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine
CID 131660477
N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine
CID 131661913
(6S)-8-pyrimidin-2-yl-6-(2-pyrrolidin-1-ylethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97389197
(6R)-8-pyrimidin-2-yl-6-(2-pyrrolidin-1-ylethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97389198
7-Pyrimidin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 97390196
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
N-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
CID 97405484
N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methyl]oxan-4-amine
CID 97413594
N-ethyl-N-[[(6R)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 97462725

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97483762) is (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is c1cnc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)nc1.
What is the InChIKey of (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is DBMVIKIXNUSQLM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-18-16(19-5-1)20-7-14(11-22-10-13-2-3-13)8-21-12-17-6-15(21)9-20/h1,4-6,12-14H,2-3,7-11H2/t14-/m0/s1.
What are the key properties of (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
(6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 299.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97483762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).