N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C18H23N3 — CID 65403888

IUPACN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(C2CCc3ccccc32)nc1
InChIInChI=1S/C18H23N3/c1-18(2,3)21-12-13-10-19-17(20-11-13)16-9-8-14-6-4-5-7-15(14)16/h4-7,10-11,16,21H,8-9,12H2,1-3H3
InChIKeyINPZBMBWDGSZIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.44
Rot. Bonds3

About N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65403888) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID65403888
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(C2CCc3ccccc32)nc1
InChIInChI=1S/C18H23N3/c1-18(2,3)21-12-13-10-19-17(20-11-13)16-9-8-14-6-4-5-7-15(14)16/h4-7,10-11,16,21H,8-9,12H2,1-3H3
InChIKeyINPZBMBWDGSZIN-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65405636
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 65406414
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405624
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine
CID 63250675
1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490
(1R)-1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899514
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 65404630
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65406026
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403690

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 65403888) is N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(C2CCc3ccccc32)nc1.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is INPZBMBWDGSZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-18(2,3)21-12-13-10-19-17(20-11-13)16-9-8-14-6-4-5-7-15(14)16/h4-7,10-11,16,21H,8-9,12H2,1-3H3.
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65403888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).