2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine

C14H22N4 — CID 136515017

IUPAC2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine
SMILESCC1CC2CCCCC2N1Cc1nccc(N)n1
InChIInChI=1S/C14H22N4/c1-10-8-11-4-2-3-5-12(11)18(10)9-14-16-7-6-13(15)17-14/h6-7,10-12H,2-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyBUSNPAOXOJMQMH-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.21
Rot. Bonds2

About 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine

2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine (PubChem CID 136515017) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine
PubChem CID136515017
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine
SMILESCC1CC2CCCCC2N1Cc1nccc(N)n1
InChIInChI=1S/C14H22N4/c1-10-8-11-4-2-3-5-12(11)18(10)9-14-16-7-6-13(15)17-14/h6-7,10-12H,2-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyBUSNPAOXOJMQMH-UHFFFAOYSA-N
XLogP2.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine (CID 136515017) is 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine is CC1CC2CCCCC2N1Cc1nccc(N)n1.
What is the InChIKey of 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine?
The InChIKey is BUSNPAOXOJMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-8-11-4-2-3-5-12(11)18(10)9-14-16-7-6-13(15)17-14/h6-7,10-12H,2-5,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine?
2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 136515017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).