(8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine

C12H16N4 — CID 162388641

IUPAC(8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine
SMILESCN(C)[C@H]1CCc2[nH]c3cncnc3c2C1
InChIInChI=1S/C12H16N4/c1-16(2)8-3-4-10-9(5-8)12-11(15-10)6-13-7-14-12/h6-8,15H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyMPTGHRQGUOOHRK-QMMMGPOBSA-N
MW216.29 g/mol
LogP1.38
Rot. Bonds1

About (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine

(8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine (PubChem CID 162388641) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine.

Molecular Properties

Compound Name(8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine
PubChem CID162388641
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine
SMILESCN(C)[C@H]1CCc2[nH]c3cncnc3c2C1
InChIInChI=1S/C12H16N4/c1-16(2)8-3-4-10-9(5-8)12-11(15-10)6-13-7-14-12/h6-8,15H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyMPTGHRQGUOOHRK-QMMMGPOBSA-N
XLogP1.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine?
The IUPAC name of (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine (CID 162388641) is (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine.
What is the SMILES notation for (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine?
The canonical SMILES for (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine is CN(C)[C@H]1CCc2[nH]c3cncnc3c2C1.
What is the InChIKey of (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine?
The InChIKey is MPTGHRQGUOOHRK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4/c1-16(2)8-3-4-10-9(5-8)12-11(15-10)6-13-7-14-12/h6-8,15H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine?
(8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine has a molecular weight of 216.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indol-8-amine is sourced from PubChem (CID 162388641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).