N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine

C21H28N4 — CID 95868870

IUPACN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1N[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H28N4/c1-3-16-13-22-15(2)23-21(16)24-19-9-6-10-25(14-19)20-11-17-7-4-5-8-18(17)12-20/h4-5,7-8,13,19-20H,3,6,9-12,14H2,1-2H3,(H,22,23,24)/t19-/m0/s1
InChIKeyFPVWBAAAMBLZAN-IBGZPJMESA-N
MW336.48 g/mol
LogP3.39
Rot. Bonds4

About N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine (PubChem CID 95868870) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine
PubChem CID95868870
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1N[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H28N4/c1-3-16-13-22-15(2)23-21(16)24-19-9-6-10-25(14-19)20-11-17-7-4-5-8-18(17)12-20/h4-5,7-8,13,19-20H,3,6,9-12,14H2,1-2H3,(H,22,23,24)/t19-/m0/s1
InChIKeyFPVWBAAAMBLZAN-IBGZPJMESA-N
XLogP3.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine (CID 95868870) is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine is CCc1cnc(C)nc1N[C@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is FPVWBAAAMBLZAN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N4/c1-3-16-13-22-15(2)23-21(16)24-19-9-6-10-25(14-19)20-11-17-7-4-5-8-18(17)12-20/h4-5,7-8,13,19-20H,3,6,9-12,14H2,1-2H3,(H,22,23,24)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 336.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 95868870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).