(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C18H22N4O — CID 95138452

IUPAC(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CC[C@@H]2NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H22N4O/c1-2-4-16-15(3-1)5-6-17(16)19-11-14-12-20-18(21-13-14)22-7-9-23-10-8-22/h1-4,12-13,17,19H,5-11H2/t17-/m0/s1
InChIKeyHKBYZADEEDWWBY-KRWDZBQOSA-N
MW310.40 g/mol
LogP2.09
Rot. Bonds4

About (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine

(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 95138452) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID95138452
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CC[C@@H]2NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H22N4O/c1-2-4-16-15(3-1)5-6-17(16)19-11-14-12-20-18(21-13-14)22-7-9-23-10-8-22/h1-4,12-13,17,19H,5-11H2/t17-/m0/s1
InChIKeyHKBYZADEEDWWBY-KRWDZBQOSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 95138452) is (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is c1ccc2c(c1)CC[C@@H]2NCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HKBYZADEEDWWBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-4-16-15(3-1)5-6-17(16)19-11-14-12-20-18(21-13-14)22-7-9-23-10-8-22/h1-4,12-13,17,19H,5-11H2/t17-/m0/s1.
What are the key properties of (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 310.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 95138452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).