N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine

C13H15N5 — CID 140551743

IUPACN-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine
SMILESc1cnc(Nc2ccc3c(c2)CNCCN3)nc1
InChIInChI=1S/C13H15N5/c1-4-16-13(17-5-1)18-11-2-3-12-10(8-11)9-14-6-7-15-12/h1-5,8,14-15H,6-7,9H2,(H,16,17,18)
InChIKeyHRTBTYVWHMAXTL-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.74
Rot. Bonds2

About N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine

N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine (PubChem CID 140551743) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine
PubChem CID140551743
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine
SMILESc1cnc(Nc2ccc3c(c2)CNCCN3)nc1
InChIInChI=1S/C13H15N5/c1-4-16-13(17-5-1)18-11-2-3-12-10(8-11)9-14-6-7-15-12/h1-5,8,14-15H,6-7,9H2,(H,16,17,18)
InChIKeyHRTBTYVWHMAXTL-UHFFFAOYSA-N
XLogP1.74
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine?
The IUPAC name of N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine (CID 140551743) is N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine.
What is the SMILES notation for N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine?
The canonical SMILES for N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine is c1cnc(Nc2ccc3c(c2)CNCCN3)nc1.
What is the InChIKey of N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine?
The InChIKey is HRTBTYVWHMAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-4-16-13(17-5-1)18-11-2-3-12-10(8-11)9-14-6-7-15-12/h1-5,8,14-15H,6-7,9H2,(H,16,17,18).
What are the key properties of N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine?
N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine has a molecular weight of 241.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-amine is sourced from PubChem (CID 140551743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).