N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine

C18H21N3 — CID 99695886

IUPACN-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
SMILESc1ccc2c(c1)CCC[C@]21C[C@@H]1CNCc1cncnc1
InChIInChI=1S/C18H21N3/c1-2-6-17-15(4-1)5-3-7-18(17)8-16(18)12-19-9-14-10-20-13-21-11-14/h1-2,4,6,10-11,13,16,19H,3,5,7-9,12H2/t16-,18-/m1/s1
InChIKeyKALNASUXUJYUKF-SJLPKXTDSA-N
MW279.39 g/mol
LogP2.86
Rot. Bonds4

About N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine

N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine (PubChem CID 99695886) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
PubChem CID99695886
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
SMILESc1ccc2c(c1)CCC[C@]21C[C@@H]1CNCc1cncnc1
InChIInChI=1S/C18H21N3/c1-2-6-17-15(4-1)5-3-7-18(17)8-16(18)12-19-9-14-10-20-13-21-11-14/h1-2,4,6,10-11,13,16,19H,3,5,7-9,12H2/t16-,18-/m1/s1
InChIKeyKALNASUXUJYUKF-SJLPKXTDSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine (CID 99695886) is N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine is c1ccc2c(c1)CCC[C@]21C[C@@H]1CNCc1cncnc1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine?
The InChIKey is KALNASUXUJYUKF-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-6-17-15(4-1)5-3-7-18(17)8-16(18)12-19-9-14-10-20-13-21-11-14/h1-2,4,6,10-11,13,16,19H,3,5,7-9,12H2/t16-,18-/m1/s1.
What are the key properties of N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine?
N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine is sourced from PubChem (CID 99695886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).