N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine

C15H15N3 — CID 125132573

IUPACN-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)nc1
InChIInChI=1S/C15H15N3/c1-2-5-11-10(4-1)8-12-13(14(11)12)9-18-15-16-6-3-7-17-15/h1-7,12-14H,8-9H2,(H,16,17,18)/t12-,13+,14+/m0/s1
InChIKeyGKMUPXMFIMYWSE-BFHYXJOUSA-N
MW237.31 g/mol
LogP2.47
Rot. Bonds3

About N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine

N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine (PubChem CID 125132573) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine
PubChem CID125132573
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)nc1
InChIInChI=1S/C15H15N3/c1-2-5-11-10(4-1)8-12-13(14(11)12)9-18-15-16-6-3-7-17-15/h1-7,12-14H,8-9H2,(H,16,17,18)/t12-,13+,14+/m0/s1
InChIKeyGKMUPXMFIMYWSE-BFHYXJOUSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine
CID 133375697
1-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 98233743
2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 133375536
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133375690
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383705
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-2-methylsulfonylaniline
CID 133375641
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
CID 96542205
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133383706
6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 133375608
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-6-methyl-5-nitropyridin-2-amine
CID 133375673
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-2-fluoro-4-nitroaniline
CID 133375584

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine (CID 125132573) is N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine is c1cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)nc1.
What is the InChIKey of N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is GKMUPXMFIMYWSE-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-5-11-10(4-1)8-12-13(14(11)12)9-18-15-16-6-3-7-17-15/h1-7,12-14H,8-9H2,(H,16,17,18)/t12-,13+,14+/m0/s1.
What are the key properties of N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine?
N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 237.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 125132573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).