(9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine

C8H14N2 — CID 121297432

IUPAC(9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
SMILESC1=CN2CCCN[C@H]2CC1
InChIInChI=1S/C8H14N2/c1-2-6-10-7-3-5-9-8(10)4-1/h2,6,8-9H,1,3-5,7H2/t8-/m1/s1
InChIKeyCWAXZVQAWHSUFE-MRVPVSSYSA-N
MW138.21 g/mol
LogP0.92
Rot. Bonds

About (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine

(9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine (PubChem CID 121297432) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name(9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
PubChem CID121297432
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
SMILESC1=CN2CCCN[C@H]2CC1
InChIInChI=1S/C8H14N2/c1-2-6-10-7-3-5-9-8(10)4-1/h2,6,8-9H,1,3-5,7H2/t8-/m1/s1
InChIKeyCWAXZVQAWHSUFE-MRVPVSSYSA-N
XLogP0.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,5,7-Triazabicyclo[4.4.0]decene
CID 19021947
1,2,3,4,5,8-Hexahydropyrido[1,2-a]pyrimidine
CID 129798880
1-(1,2,3,4-Tetrahydropyridin-2-yl)piperazine
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CID 20078033
N-methyl-2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-amine
CID 21618734
9-Methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine
CID 22361674
2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-amine
CID 56628724
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CID 67249317
1,2,3,4,8,9,10,10a-octahydropyrimido[1,2-a]azepine;N,N-dimethylmethanamine
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Frequently Asked Questions

What is the IUPAC name of (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The IUPAC name of (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine (CID 121297432) is (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine is C1=CN2CCCN[C@H]2CC1.
What is the InChIKey of (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The InChIKey is CWAXZVQAWHSUFE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-6-10-7-3-5-9-8(10)4-1/h2,6,8-9H,1,3-5,7H2/t8-/m1/s1.
What are the key properties of (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
(9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 121297432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).